Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | breast cancer 1, early onset | Starlite/ChEMBL | No references |
Homo sapiens | aldehyde dehydrogenase 1 family, member A1 | Starlite/ChEMBL | No references |
Homo sapiens | RAB9A, member RAS oncogene family | Starlite/ChEMBL | No references |
Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Homo sapiens | nuclear factor, erythroid 2-like 2 | Starlite/ChEMBL | No references |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Plasmodium falciparum | ras-related protein Rab-5B | RAB9A, member RAS oncogene family | 201 aa | 165 aa | 30.9 % |
Mycobacterium tuberculosis | Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 | aldehyde dehydrogenase 1 family, member A1 | 501 aa | 456 aa | 33.3 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Brugia malayi | Carboxylesterase family protein | 0.028 | 0.5647 | 0.8827 |
Echinococcus multilocularis | carboxylesterase 5A | 0.028 | 0.5647 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0074 | 0.1296 | 0.1296 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.074 | 0.074 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0043 | 0.0658 | 0.1165 |
Schistosoma mansoni | acetylcholinesterase | 0.0047 | 0.074 | 0.1158 |
Loa Loa (eye worm) | hypothetical protein | 0.0248 | 0.4967 | 0.4967 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.074 | 0.074 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0658 | 0.5 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.1287 | 1 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0047 | 0.074 | 0.1158 |
Brugia malayi | hypothetical protein | 0.0047 | 0.074 | 0.1158 |
Loa Loa (eye worm) | carboxylesterase | 0.028 | 0.5647 | 0.5647 |
Echinococcus granulosus | carboxylesterase 5A | 0.028 | 0.5647 | 1 |
Brugia malayi | hypothetical protein | 0.0043 | 0.0658 | 0.1029 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.1287 | 1 |
Brugia malayi | Carboxylesterase family protein | 0.0047 | 0.074 | 0.1158 |
Echinococcus multilocularis | integrin alpha ps | 0.0068 | 0.1173 | 0.2077 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.028 | 0.5647 | 0.8827 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0658 | 0.5 |
Schistosoma mansoni | gliotactin | 0.0047 | 0.074 | 0.1158 |
Brugia malayi | Integrin alpha pat-2 precursor | 0.0316 | 0.6397 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.074 | 0.074 |
Schistosoma mansoni | BC026374 protein (S09 family) | 0.0047 | 0.074 | 0.1158 |
Echinococcus multilocularis | family S9 non peptidase ue (S09 family) | 0.0047 | 0.074 | 0.1311 |
Echinococcus granulosus | integrin alpha ps | 0.0068 | 0.1173 | 0.2077 |
Onchocerca volvulus | 0.0047 | 0.074 | 1 | |
Mycobacterium tuberculosis | Probable aldehyde dehydrogenase | 0.0073 | 0.1287 | 1 |
Toxoplasma gondii | aldehyde dehydrogenase | 0.0073 | 0.1287 | 0.5 |
Echinococcus multilocularis | acetylcholinesterase | 0.028 | 0.5647 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.074 | 0.074 |
Brugia malayi | Carboxylesterase family protein | 0.0047 | 0.074 | 0.1158 |
Onchocerca volvulus | 0.0047 | 0.074 | 1 | |
Echinococcus multilocularis | integrin alpha ps | 0.0142 | 0.2726 | 0.4827 |
Onchocerca volvulus | 0.0047 | 0.074 | 1 | |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.074 | 0.074 |
Onchocerca volvulus | 0.0047 | 0.074 | 1 | |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0658 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.074 | 0.074 |
Schistosoma mansoni | integrin alpha-ps | 0.0142 | 0.2726 | 0.4261 |
Onchocerca volvulus | 0.0047 | 0.074 | 1 | |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.1287 | 0.2013 |
Loa Loa (eye worm) | hypothetical protein | 0.0239 | 0.4776 | 0.4776 |
Brugia malayi | Carboxylesterase family protein | 0.0047 | 0.074 | 0.1158 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0043 | 0.0658 | 0.1165 |
Echinococcus multilocularis | neuroligin | 0.0047 | 0.074 | 0.1311 |
Mycobacterium ulcerans | aldehyde dehydrogenase | 0.0073 | 0.1287 | 1 |
Schistosoma mansoni | integrin alpha-ps | 0.0074 | 0.1296 | 0.2026 |
Loa Loa (eye worm) | hypothetical protein | 0.0068 | 0.1173 | 0.1173 |
Loa Loa (eye worm) | carboxylesterase | 0.0047 | 0.074 | 0.074 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0047 | 0.074 | 0.1158 |
Echinococcus multilocularis | acetylcholinesterase | 0.028 | 0.5647 | 1 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0043 | 0.0658 | 0.1029 |
Echinococcus multilocularis | aldehyde dehydrogenase, mitochondrial | 0.0073 | 0.1287 | 0.228 |
Echinococcus multilocularis | para nitrobenzyl esterase | 0.0047 | 0.074 | 0.1311 |
Echinococcus granulosus | acetylcholinesterase | 0.028 | 0.5647 | 1 |
Echinococcus granulosus | neuroligin | 0.0047 | 0.074 | 0.1311 |
Echinococcus multilocularis | BC026374 protein (S09 family) | 0.0047 | 0.074 | 0.1311 |
Echinococcus granulosus | para nitrobenzyl esterase | 0.0047 | 0.074 | 0.1311 |
Loa Loa (eye worm) | carboxylesterase | 0.0047 | 0.074 | 0.074 |
Leishmania major | aldehyde dehydrogenase, mitochondrial precursor | 0.0073 | 0.1287 | 0.5 |
Brugia malayi | Integrin alpha cytoplasmic region family protein | 0.0239 | 0.4776 | 0.7466 |
Echinococcus granulosus | family S9 non peptidase ue S09 family | 0.0047 | 0.074 | 0.1311 |
Brugia malayi | Carboxylesterase family protein | 0.0047 | 0.074 | 0.1158 |
Echinococcus granulosus | acetylcholinesterase | 0.028 | 0.5647 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.028 | 0.5647 | 0.5647 |
Loa Loa (eye worm) | hypothetical protein | 0.028 | 0.5647 | 0.5647 |
Loa Loa (eye worm) | acetylcholinesterase 1 | 0.028 | 0.5647 | 0.5647 |
Brugia malayi | Carboxylesterase family protein | 0.028 | 0.5647 | 0.8827 |
Echinococcus granulosus | aldehyde dehydrogenase mitochondrial | 0.0073 | 0.1287 | 0.228 |
Echinococcus multilocularis | integrin alpha ps | 0.0142 | 0.2726 | 0.4827 |
Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0047 | 0.074 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0043 | 0.0658 | 0.1029 |
Trichomonas vaginalis | spcc417.12 protein, putative | 0.0047 | 0.074 | 0.5 |
Echinococcus granulosus | BC026374 protein S09 family | 0.0047 | 0.074 | 0.1311 |
Echinococcus multilocularis | integrin alpha 3 | 0.0242 | 0.4844 | 0.8578 |
Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.0047 | 0.074 | 0.1158 |
Echinococcus granulosus | integrin alpha 3 | 0.0242 | 0.4844 | 0.8578 |
Echinococcus granulosus | integrin alpha ps | 0.0142 | 0.2726 | 0.4827 |
Schistosoma mansoni | hypothetical protein | 0.0068 | 0.1173 | 0.1833 |
Loa Loa (eye worm) | hypothetical protein | 0.0174 | 0.3414 | 0.3414 |
Loa Loa (eye worm) | hypothetical protein | 0.0047 | 0.074 | 0.074 |
Schistosoma mansoni | aldehyde dehydrogenase | 0.0073 | 0.1287 | 0.2013 |
Entamoeba histolytica | hypothetical protein | 0.0043 | 0.0658 | 0.5 |
Schistosoma mansoni | neuroligin 3 (S09 family) | 0.0047 | 0.074 | 0.1158 |
Schistosoma mansoni | integrin alpha | 0.0316 | 0.6397 | 1 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
Potency (functional) | 2.9093 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
Potency (functional) | = 5.6234 um | PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | = 7.0795 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 11.2202 uM | PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
Potency (functional) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
Potency (functional) | 16.5113 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
Potency (functional) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
Potency (functional) | 26.8545 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
Potency (functional) | 29.081 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] | ChEMBL. | No reference |
Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | ChEMBL. | No reference |
Species name | Source | Reference | Is orphan |
---|---|---|---|
Homo sapiens | ChEMBL23 | ||
Plasmodium falciparum | ChEMBL23 |
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.