Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Mycobacterium tuberculosis | Divalent cation-transport integral membrane protein MntH (BRAMP) (MRAMP) | 0.0403 | 0.4986 | 1 |
Mycobacterium tuberculosis | Conserved protein | 0.0035 | 0.0242 | 0.0486 |
Entamoeba histolytica | acyl-coA synthetase, putative | 0.0023 | 0.0088 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0242 | 0.0281 |
Mycobacterium leprae | Probable lipase LipE | 0.0035 | 0.0242 | 0.0316 |
Leishmania major | hypothetical protein, conserved | 0.0035 | 0.0242 | 1 |
Brugia malayi | beta-lactamase | 0.0035 | 0.0242 | 0.0191 |
Mycobacterium tuberculosis | Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) | 0.0023 | 0.0088 | 0.0176 |
Plasmodium vivax | metal transporter, putative | 0.0651 | 0.8196 | 1 |
Echinococcus multilocularis | divalent metal transporter DMT1B | 0.0651 | 0.8196 | 0.8151 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0242 | 0.0281 |
Mycobacterium leprae | conserved hypothetical protein | 0.0035 | 0.0242 | 0.0316 |
Loa Loa (eye worm) | beta-LACTamase domain containing family member | 0.0035 | 0.0242 | 0.0281 |
Trichomonas vaginalis | esterase, putative | 0.0035 | 0.0242 | 0.5 |
Echinococcus granulosus | Ankyrin | 0.0046 | 0.0381 | 0.0174 |
Schistosoma mansoni | ankyrin 23/unc44 | 0.0046 | 0.0381 | 0.0174 |
Schistosoma mansoni | netrin receptor unc5 | 0.0046 | 0.0381 | 0.0174 |
Mycobacterium tuberculosis | Conserved protein | 0.0035 | 0.0242 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0088 | 0.0092 |
Mycobacterium tuberculosis | Probable conserved lipoprotein | 0.0035 | 0.0242 | 0.0486 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0242 | 0.0281 |
Trypanosoma brucei | hypothetical protein, conserved | 0.0035 | 0.0242 | 0.5 |
Brugia malayi | Death domain containing protein | 0.0046 | 0.0381 | 0.0361 |
Mycobacterium tuberculosis | Probable esterase LipL | 0.0035 | 0.0242 | 0.0486 |
Mycobacterium tuberculosis | Probable hydrolase | 0.0035 | 0.0242 | 0.0486 |
Plasmodium falciparum | transporter, putative | 0.0651 | 0.8196 | 1 |
Echinococcus multilocularis | ankyrin repeat and death domain containing protein | 0.0046 | 0.0381 | 0.0142 |
Mycobacterium tuberculosis | Conserved protein | 0.0035 | 0.0242 | 0.0486 |
Mycobacterium ulcerans | esterase/lipase LipP | 0.0035 | 0.0242 | 0.0281 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0035 | 0.0242 | 0.5 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0035 | 0.0242 | 0.5 |
Mycobacterium tuberculosis | Probable lipase LipE | 0.0035 | 0.0242 | 0.0486 |
Mycobacterium tuberculosis | Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) | 0.0017 | 0.0012 | 0.0024 |
Mycobacterium tuberculosis | Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) | 0.0023 | 0.0088 | 0.0176 |
Onchocerca volvulus | Netrin receptor homolog | 0.0046 | 0.0381 | 0.0361 |
Mycobacterium ulcerans | long-chain-fatty-acid--CoA ligase | 0.0023 | 0.0088 | 0.0092 |
Loa Loa (eye worm) | hypothetical protein | 0.0651 | 0.8196 | 1 |
Mycobacterium ulcerans | fatty-acid-CoA ligase | 0.0023 | 0.0088 | 0.0092 |
Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0088 | 0.0092 |
Brugia malayi | beta-lactamase family protein | 0.0035 | 0.0242 | 0.0191 |
Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.0381 | 0.045 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0242 | 0.0281 |
Brugia malayi | Uncoordinated protein 44 | 0.0046 | 0.0381 | 0.0361 |
Mycobacterium tuberculosis | Possible conserved lipoprotein LpqK | 0.0035 | 0.0242 | 0.0486 |
Chlamydia trachomatis | acylglycerophosphoethanolamine acyltransferase | 0.0017 | 0.0012 | 0.5 |
Echinococcus granulosus | death domain containing protein | 0.0046 | 0.0381 | 0.0174 |
Mycobacterium ulcerans | acyl-CoA synthetase | 0.0023 | 0.0088 | 0.0092 |
Mycobacterium leprae | DIVALENT CATION-TRANSPORT INTEGRAL MEMBRANE PROTEIN MNTH (BRAMP) (MRAMP) | 0.0403 | 0.4986 | 1 |
Onchocerca volvulus | Protein Malvolio homolog | 0.0651 | 0.8196 | 1 |
Mycobacterium leprae | possible membrane transport protein | 0.0249 | 0.3 | 0.5946 |
Mycobacterium ulcerans | hypothetical protein | 0.0035 | 0.0242 | 0.0281 |
Schistosoma mansoni | hypothetical protein | 0.0046 | 0.0381 | 0.0174 |
Mycobacterium ulcerans | divalent cation-transport integral membrane protein | 0.0249 | 0.3 | 0.3651 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0035 | 0.0242 | 0.5 |
Schistosoma mansoni | divalent metal transporter DMT1B | 0.0651 | 0.8196 | 1 |
Echinococcus granulosus | divalent metal transporter DMT1B | 0.0651 | 0.8196 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0242 | 0.0281 |
Toxoplasma gondii | divalent metal transporter, putative | 0.0651 | 0.8196 | 1 |
Brugia malayi | Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative | 0.0035 | 0.0242 | 0.0191 |
Loa Loa (eye worm) | hypothetical protein | 0.0023 | 0.0088 | 0.0092 |
Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0046 | 0.0381 | 0.045 |
Brugia malayi | beta-lactamase family protein | 0.0035 | 0.0242 | 0.0191 |
Mycobacterium tuberculosis | Probable esterase/lipase LipP | 0.0035 | 0.0242 | 0.0486 |
Loa Loa (eye worm) | beta-lactamase | 0.0035 | 0.0242 | 0.0281 |
Mycobacterium ulcerans | lipase LipD | 0.0035 | 0.0242 | 0.0281 |
Brugia malayi | Protein kinase domain containing protein | 0.0046 | 0.0381 | 0.0361 |
Echinococcus granulosus | netrin receptor unc 5 | 0.0046 | 0.0381 | 0.0174 |
Mycobacterium ulcerans | acyl-CoA synthetase | 0.0023 | 0.0088 | 0.0092 |
Schistosoma mansoni | divalent metal transporter DMT1B | 0.0651 | 0.8196 | 1 |
Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0023 | 0.0088 | 0.5 |
Mycobacterium ulcerans | manganese transport protein MntH | 0.0651 | 0.8196 | 1 |
Mycobacterium ulcerans | hypothetical protein | 0.0023 | 0.0088 | 0.0092 |
Onchocerca volvulus | 0.0035 | 0.0242 | 0.0191 | |
Echinococcus multilocularis | netrin receptor unc 5 | 0.0046 | 0.0381 | 0.0142 |
Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0046 | 0.0381 | 0.0361 |
Trypanosoma cruzi | hypothetical protein, conserved | 0.0035 | 0.0242 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.0381 | 0.045 |
Loa Loa (eye worm) | hypothetical protein | 0.0651 | 0.8196 | 1 |
Mycobacterium ulcerans | acyl-CoA synthetase | 0.0023 | 0.0088 | 0.0092 |
Mycobacterium tuberculosis | Possible penicillin-binding protein | 0.0224 | 0.2686 | 0.5387 |
Trichomonas vaginalis | penicillin-binding protein, putative | 0.0035 | 0.0242 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0035 | 0.0242 | 0.0281 |
Schistosoma mansoni | retinoblastoma-binding protein 4 (rbbp4) | 0.0046 | 0.0381 | 0.0174 |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0035 | 0.0242 | 0.5 |
Mycobacterium ulcerans | long-chain fatty-acid CoA ligase | 0.0023 | 0.0088 | 0.0092 |
Onchocerca volvulus | 0.0035 | 0.0242 | 0.0191 | |
Trichomonas vaginalis | D-aminoacylase, putative | 0.0035 | 0.0242 | 0.5 |
Entamoeba histolytica | acyl-CoA synthetase, putative | 0.0023 | 0.0088 | 0.5 |
Echinococcus multilocularis | Ankyrin | 0.0046 | 0.0381 | 0.0142 |
Mycobacterium tuberculosis | Probable lipase LipD | 0.0035 | 0.0242 | 0.0486 |
Plasmodium vivax | hypothetical protein, conserved | 0.0035 | 0.0242 | 0.0281 |
Onchocerca volvulus | 0.0035 | 0.0242 | 0.0191 | |
Brugia malayi | NRAMP-like transporter K11G12.4 | 0.0651 | 0.8196 | 1 |
Echinococcus granulosus | ankyrin repeat and death domain containing protein | 0.0046 | 0.0381 | 0.0174 |
Mycobacterium ulcerans | divalent cation-transport integral membrane protein | 0.0249 | 0.3 | 0.3651 |
Mycobacterium ulcerans | beta-lactamase | 0.0035 | 0.0242 | 0.0281 |
Mycobacterium ulcerans | fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE | 0.0035 | 0.0242 | 0.0281 |
Mycobacterium ulcerans | long-chain-fatty-acid-CoA ligase | 0.0023 | 0.0088 | 0.0092 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Activity (ADMET) | = 60 % | Cytotoxicity against LPS-stimulated mouse RAW264.7 cells assessed as cell viability at 1 to 25 uM pretreated for 15 mins before LPS challenge measured after 24 hrs by MTT assay | ChEMBL. | 21334121 |
IC50 (functional) | > 25 uM | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide release pretreated for 15 mins before LPS challenge measured after 24 hrs by Griess method | ChEMBL. | 21334121 |
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.