Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase | 0.0039 | 0.0398 | 0.0572 |
Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0051 | 0.061 | 0.0878 |
Plasmodium falciparum | glutathione reductase | 0.0155 | 0.2548 | 1 |
Trichomonas vaginalis | CAMK family protein kinase | 0.021 | 0.3573 | 0.6587 |
Trichomonas vaginalis | CAMK family protein kinase | 0.021 | 0.3573 | 0.6587 |
Trypanosoma brucei | dihydrolipoamide dehydrogenase, point mutation | 0.0054 | 0.0663 | 0.1411 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0104 | 0.1599 | 0.2725 |
Plasmodium falciparum | ATP-dependent DNA helicase Q1 | 0.0033 | 0.0268 | 0.0352 |
Loa Loa (eye worm) | glutaminase | 0.0304 | 0.5318 | 0.7503 |
Echinococcus multilocularis | thioredoxin glutathione reductase | 0.0155 | 0.2548 | 0.2427 |
Brugia malayi | serine/threonine-protein kinase plk-2 | 0.021 | 0.3573 | 0.5144 |
Entamoeba histolytica | hypothetical protein | 0.0118 | 0.1858 | 0.4516 |
Schistosoma mansoni | DNA helicase recq5 | 0.0033 | 0.0268 | 0.011 |
Echinococcus multilocularis | bloom syndrome protein | 0.0079 | 0.1128 | 0.0984 |
Loa Loa (eye worm) | hypothetical protein | 0.0159 | 0.2627 | 0.3589 |
Entamoeba histolytica | hypothetical protein | 0.0118 | 0.1858 | 0.4516 |
Onchocerca volvulus | 0.0159 | 0.2627 | 0.7142 | |
Onchocerca volvulus | Heterochromatin protein 1 homolog | 0.0041 | 0.0429 | 0.05 |
Brugia malayi | MH1 domain containing protein | 0.0027 | 0.016 | 0.023 |
Trypanosoma brucei | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0042 | 0.0446 | 0.077 |
Echinococcus granulosus | chromobox protein 1 | 0.0074 | 0.103 | 0.0884 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0051 | 0.061 | 0.0457 |
Schistosoma mansoni | hypothetical protein | 0.0052 | 0.0626 | 0.0474 |
Trypanosoma cruzi | polo-like protein kinase, putative | 0.021 | 0.3573 | 1 |
Plasmodium vivax | dihydrolipoyl dehydrogenase, apicoplast, putative | 0.0054 | 0.0663 | 0.2024 |
Brugia malayi | latrophilin 2 splice variant baaae | 0.0112 | 0.1742 | 0.2508 |
Mycobacterium tuberculosis | Probable dehydrogenase | 0.0354 | 0.6243 | 0.8837 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0051 | 0.061 | 0.0457 |
Brugia malayi | glutathione reductase | 0.0155 | 0.2548 | 0.3668 |
Trichomonas vaginalis | CAMK family protein kinase | 0.021 | 0.3573 | 0.6587 |
Trichomonas vaginalis | chromobox protein, putative | 0.0044 | 0.0488 | 0.0551 |
Plasmodium vivax | thioredoxin reductase, putative | 0.0155 | 0.2548 | 1 |
Mycobacterium leprae | DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE | 0.0393 | 0.6977 | 1 |
Trypanosoma brucei | polo-like protein kinase | 0.021 | 0.3573 | 1 |
Echinococcus granulosus | thioredoxin glutathione reductase | 0.0155 | 0.2548 | 0.2427 |
Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.021 | 0.3573 | 1 |
Trichomonas vaginalis | chromobox protein, putative | 0.0074 | 0.103 | 0.1612 |
Schistosoma mansoni | hypothetical protein | 0.0556 | 1 | 1 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0051 | 0.061 | 0.0457 |
Brugia malayi | MH2 domain containing protein | 0.0392 | 0.6946 | 1 |
Leishmania major | trypanothione reductase | 0.0155 | 0.2548 | 0.6975 |
Giardia lamblia | Kinase, PLK | 0.021 | 0.3573 | 1 |
Trichomonas vaginalis | DNA helicase recq1, putative | 0.0079 | 0.1128 | 0.1804 |
Mycobacterium tuberculosis | Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB | 0.0354 | 0.6243 | 0.8837 |
Echinococcus multilocularis | cadherin EGF LAG seven pass G type receptor | 0.0052 | 0.0626 | 0.0474 |
Entamoeba histolytica | hypothetical protein | 0.0118 | 0.1858 | 0.4516 |
Leishmania major | 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein | 0.0054 | 0.0663 | 0.1411 |
Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.0054 | 0.0663 | 0.1411 |
Mycobacterium tuberculosis | Probable reductase | 0.0354 | 0.6243 | 0.8837 |
Mycobacterium tuberculosis | Probable NADH dehydrogenase Ndh | 0.0354 | 0.6243 | 0.8837 |
Trypanosoma cruzi | polo-like protein kinase, putative | 0.021 | 0.3573 | 1 |
Trypanosoma brucei | dihydrolipoamide dehydrogenase | 0.0054 | 0.0663 | 0.1411 |
Trichomonas vaginalis | glutaminase, putative | 0.0304 | 0.5318 | 1 |
Trypanosoma brucei | dihydrolipoyl dehydrogenase | 0.0054 | 0.0663 | 0.1411 |
Loa Loa (eye worm) | glutaminase 2 | 0.0304 | 0.5318 | 0.7503 |
Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Loa Loa (eye worm) | glutathione reductase | 0.0155 | 0.2548 | 0.3474 |
Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0051 | 0.061 | 0.0654 |
Schistosoma mansoni | hypothetical protein | 0.0052 | 0.0626 | 0.0474 |
Brugia malayi | Bloom's syndrome protein homolog | 0.0079 | 0.1128 | 0.1624 |
Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.0264 | 0.0152 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0051 | 0.061 | 0.0457 |
Trypanosoma cruzi | dihydrolipoyl dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Brugia malayi | hypothetical protein | 0.0118 | 0.1858 | 0.2675 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0041 | 0.0429 | 0.0438 |
Onchocerca volvulus | Serine\/threonine kinase homolog | 0.021 | 0.3573 | 1 |
Trichomonas vaginalis | DNA helicase recq, putative | 0.0042 | 0.0446 | 0.0469 |
Loa Loa (eye worm) | latrophilin receptor protein 2 | 0.0052 | 0.0626 | 0.0678 |
Trichomonas vaginalis | CAMK family protein kinase | 0.021 | 0.3573 | 0.6587 |
Loa Loa (eye worm) | transcription factor SMAD2 | 0.0392 | 0.6946 | 0.9871 |
Mycobacterium tuberculosis | NAD(P)H quinone reductase LpdA | 0.0393 | 0.6977 | 1 |
Mycobacterium tuberculosis | Probable oxidoreductase | 0.0393 | 0.6977 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0397 | 0.7035 | 1 |
Brugia malayi | MH2 domain containing protein | 0.0027 | 0.016 | 0.023 |
Schistosoma mansoni | hypothetical protein | 0.0118 | 0.1858 | 0.1726 |
Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Echinococcus multilocularis | chromobox protein 1 | 0.0074 | 0.103 | 0.0884 |
Mycobacterium ulcerans | glutaminase | 0.0304 | 0.5318 | 1 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.0054 | 0.0663 | 0.1411 |
Toxoplasma gondii | NADPH-glutathione reductase | 0.0054 | 0.0663 | 0.2024 |
Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0033 | 0.0268 | 0.0386 |
Leishmania major | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0118 | 0.1858 | 0.1726 |
Schistosoma mansoni | kinase | 0.0107 | 0.165 | 0.1515 |
Trichomonas vaginalis | mercuric reductase, putative | 0.0054 | 0.0663 | 0.0894 |
Echinococcus granulosus | cadherin EGF LAG seven pass G type receptor | 0.0052 | 0.0626 | 0.0474 |
Loa Loa (eye worm) | thioredoxin reductase | 0.0155 | 0.2548 | 0.3474 |
Schistosoma mansoni | DNA helicase recq1 | 0.0033 | 0.0268 | 0.011 |
Loa Loa (eye worm) | MH2 domain-containing protein | 0.0392 | 0.6946 | 0.9871 |
Echinococcus granulosus | chromobox protein 1 | 0.0074 | 0.103 | 0.0884 |
Echinococcus granulosus | bloom syndrome protein | 0.0079 | 0.1128 | 0.0984 |
Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.0268 | 0.0158 |
Onchocerca volvulus | Heterochromatin protein 1 homolog | 0.0044 | 0.0488 | 0.0676 |
Mycobacterium tuberculosis | Putative ferredoxin reductase | 0.0354 | 0.6243 | 0.8837 |
Brugia malayi | MH1 domain containing protein | 0.0027 | 0.016 | 0.023 |
Echinococcus granulosus | diuretic hormone 44 receptor GPRdih2 | 0.0052 | 0.0626 | 0.0474 |
Mycobacterium tuberculosis | NADPH-dependent mycothiol reductase Mtr | 0.0155 | 0.2548 | 0.2985 |
Brugia malayi | Heterochromatin protein 1 | 0.0074 | 0.103 | 0.1483 |
Plasmodium vivax | dihydrolipoyl dehydrogenase, mitochondrial, putative | 0.0054 | 0.0663 | 0.2024 |
Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0053 | 0.0642 | 0.1934 |
Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0051 | 0.061 | 0.0457 |
Trypanosoma cruzi | dihydrolipoyl dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Schistosoma mansoni | serine/threonine protein kinase | 0.021 | 0.3573 | 0.3469 |
Brugia malayi | Thioredoxin reductase | 0.0155 | 0.2548 | 0.3668 |
Trypanosoma cruzi | trypanothione reductase, putative | 0.0155 | 0.2548 | 0.6975 |
Trichomonas vaginalis | CAMK family protein kinase | 0.021 | 0.3573 | 0.6587 |
Plasmodium falciparum | dihydrolipoyl dehydrogenase, mitochondrial | 0.0054 | 0.0663 | 0.2024 |
Plasmodium falciparum | ADP-dependent DNA helicase RecQ | 0.0069 | 0.095 | 0.3238 |
Leishmania major | acetoin dehydrogenase e3 component-like protein | 0.0054 | 0.0663 | 0.1411 |
Trichomonas vaginalis | chromobox protein, putative | 0.0044 | 0.0488 | 0.0551 |
Schistosoma mansoni | glutaminase | 0.0304 | 0.5318 | 0.5242 |
Brugia malayi | calcium-independent alpha-latrotoxin receptor 2, putative | 0.0052 | 0.0626 | 0.0901 |
Plasmodium vivax | glutathione reductase, putative | 0.0155 | 0.2548 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0429 | 0.0392 |
Echinococcus multilocularis | diuretic hormone 44 receptor GPRdih2 | 0.0052 | 0.0626 | 0.0474 |
Brugia malayi | Smad1 | 0.0027 | 0.016 | 0.023 |
Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.021 | 0.3573 | 0.4965 |
Echinococcus granulosus | GPCR family 2 | 0.0052 | 0.0626 | 0.0474 |
Trichomonas vaginalis | CAMK family protein kinase | 0.021 | 0.3573 | 0.6587 |
Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0033 | 0.0268 | 0.0352 |
Echinococcus granulosus | ATP dependent DNA helicase Q1 | 0.0033 | 0.0268 | 0.011 |
Echinococcus granulosus | ATP dependent DNA helicase Q5 | 0.0033 | 0.0268 | 0.011 |
Giardia lamblia | NADH oxidase lateral transfer candidate | 0.0054 | 0.0663 | 0.1195 |
Leishmania major | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Loa Loa (eye worm) | hypothetical protein | 0.0164 | 0.2704 | 0.3702 |
Plasmodium falciparum | thioredoxin reductase | 0.0155 | 0.2548 | 1 |
Echinococcus multilocularis | geminin | 0.0556 | 1 | 1 |
Echinococcus multilocularis | ATP dependent DNA helicase Q1 | 0.0033 | 0.0268 | 0.011 |
Schistosoma mansoni | blooms syndrome DNA helicase | 0.0062 | 0.082 | 0.0671 |
Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0033 | 0.0268 | 0.0352 |
Entamoeba histolytica | hypothetical protein | 0.0118 | 0.1858 | 0.4516 |
Loa Loa (eye worm) | RecQ helicase | 0.0079 | 0.1128 | 0.1408 |
Plasmodium falciparum | thioredoxin reductase | 0.0054 | 0.0663 | 0.2024 |
Treponema pallidum | NADH oxidase | 0.0054 | 0.0663 | 0.5 |
Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0164 | 0.2704 | 0.3702 |
Plasmodium falciparum | glutathione reductase | 0.0054 | 0.0663 | 0.2024 |
Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0164 | 0.2704 | 0.3893 |
Echinococcus multilocularis | ATP dependent DNA helicase Q5 | 0.0033 | 0.0268 | 0.011 |
Trichomonas vaginalis | CAMK family protein kinase | 0.0104 | 0.1599 | 0.2725 |
Schistosoma mansoni | hypothetical protein | 0.0112 | 0.1742 | 0.1608 |
Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0053 | 0.0654 | 0.1984 |
Entamoeba histolytica | serine/threonine protein kinase, putative | 0.021 | 0.3573 | 1 |
Schistosoma mansoni | hypothetical protein | 0.0556 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0112 | 0.1742 | 0.2302 |
Brugia malayi | MH2 domain containing protein | 0.0027 | 0.016 | 0.023 |
Toxoplasma gondii | pyruvate dehydrogenase complex subunit PDH-E3II | 0.0054 | 0.0663 | 0.2024 |
Trichomonas vaginalis | DNA helicase recq, putative | 0.0079 | 0.1128 | 0.1804 |
Schistosoma mansoni | hypothetical protein | 0.0052 | 0.0626 | 0.0474 |
Echinococcus granulosus | serine:threonine protein kinase PLK1 | 0.021 | 0.3573 | 0.3469 |
Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0164 | 0.2704 | 0.3893 |
Schistosoma mansoni | dihydrolipoamide dehydrogenase | 0.0054 | 0.0663 | 0.0512 |
Brugia malayi | glutaminase DH11.1 | 0.0304 | 0.5318 | 0.7656 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0118 | 0.1858 | 0.1726 |
Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0033 | 0.0268 | 0.0386 |
Mycobacterium tuberculosis | Probable membrane NADH dehydrogenase NdhA | 0.0354 | 0.6243 | 0.8837 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0118 | 0.1858 | 0.1726 |
Leishmania major | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0042 | 0.0446 | 0.077 |
Echinococcus multilocularis | dihydrolipoamide dehydrogenase | 0.0054 | 0.0663 | 0.0512 |
Echinococcus granulosus | dihydrolipoamide dehydrogenase | 0.0054 | 0.0663 | 0.0512 |
Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0033 | 0.0268 | 0.0158 |
Echinococcus multilocularis | chromobox protein 1 | 0.0074 | 0.103 | 0.0884 |
Trichomonas vaginalis | chromobox protein, putative | 0.0074 | 0.103 | 0.1612 |
Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Schistosoma mansoni | chromobox protein | 0.0074 | 0.103 | 0.0884 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0054 | 0.0663 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.0626 | 0.0678 |
Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0051 | 0.061 | 0.0457 |
Trichomonas vaginalis | glutathione reductase, putative | 0.0054 | 0.0663 | 0.0894 |
Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0042 | 0.0446 | 0.077 |
Mycobacterium tuberculosis | Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras | 0.0393 | 0.6977 | 1 |
Brugia malayi | dihydrolipoyl dehydrogenase, mitochondrial precursor, putative | 0.0054 | 0.0663 | 0.0954 |
Trypanosoma cruzi | dihydrolipoamide dehydrogenase, putative | 0.0054 | 0.0663 | 0.1411 |
Trypanosoma brucei | trypanothione reductase | 0.0155 | 0.2548 | 0.6975 |
Trichomonas vaginalis | conserved hypothetical protein | 0.0041 | 0.0429 | 0.0438 |
Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.0185 | 0.0037 |
Brugia malayi | hypothetical protein | 0.0028 | 0.0185 | 0.0266 |
Brugia malayi | Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein | 0.0039 | 0.0398 | 0.0572 |
Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0051 | 0.061 | 0.0457 |
Echinococcus multilocularis | serine:threonine protein kinase PLK1 | 0.021 | 0.3573 | 0.3469 |
Loa Loa (eye worm) | heterochromatin protein 1 | 0.0074 | 0.103 | 0.1266 |
Chlamydia trachomatis | dihydrolipoyl dehydrogenase | 0.0054 | 0.0663 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0052 | 0.0626 | 0.0474 |
Toxoplasma gondii | thioredoxin reductase | 0.0155 | 0.2548 | 1 |
Brugia malayi | hypothetical protein | 0.0159 | 0.2627 | 0.3782 |
Echinococcus multilocularis | GPCR, family 2 | 0.0052 | 0.0626 | 0.0474 |
Schistosoma mansoni | chromobox protein | 0.0074 | 0.103 | 0.0884 |
Wolbachia endosymbiont of Brugia malayi | dihydrolipoamide dehydrogenase E3 component | 0.0054 | 0.0663 | 0.5 |
Trichomonas vaginalis | CAMK family protein kinase | 0.021 | 0.3573 | 0.6587 |
Plasmodium falciparum | dihydrolipoyl dehydrogenase, apicoplast | 0.0054 | 0.0663 | 0.2024 |
Brugia malayi | chromobox protein homolog 3 | 0.0041 | 0.0429 | 0.0618 |
Brugia malayi | Latrophilin receptor protein 2 | 0.0052 | 0.0626 | 0.0901 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
GI50 (functional) | -8.535 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
GI50 (functional) | -7.989 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
GI50 (functional) | -7.939 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
GI50 (functional) | -7.804 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
GI50 (functional) | -7.688 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
GI50 (functional) | -7.607 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
GI50 (functional) | -7.591 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
GI50 (functional) | -7.203 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.