Species | Target name | Source | Bibliographic reference |
---|---|---|---|
Homo sapiens | cytochrome P450, family 2, subfamily C, polypeptide 9 | Starlite/ChEMBL | References |
Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | References |
Species | Potential target | Known druggable target | Length | Alignment span | Identity |
---|---|---|---|---|---|
Brugia malayi | cytochrome P450 | cytochrome P450, family 3, subfamily A, polypeptide 4 | 502 aa | 492 aa | 24.2 % |
Mycobacterium tuberculosis | Probable cytochrome P450 136 Cyp136 | cytochrome P450, family 2, subfamily C, polypeptide 9 | 490 aa | 441 aa | 21.8 % |
Species | Potential target | Raw | Global | Species |
---|---|---|---|---|
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0.0078 | 0.5 |
Loa Loa (eye worm) | hypothetical protein | 0.0074 | 0.3418 | 1 |
Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0039 | 0.1268 | 0.1268 |
Echinococcus multilocularis | zinc finger protein | 0.002 | 0.0161 | 0.0161 |
Brugia malayi | Bromodomain containing protein | 0.004 | 0.1353 | 0.353 |
Trypanosoma cruzi | cytochrome P450, putative | 0.0019 | 0.0078 | 0.5 |
Loa Loa (eye worm) | PHD-finger family protein | 0.0022 | 0.0228 | 0.0667 |
Leishmania major | cytochrome p450-like protein | 0.0019 | 0.0078 | 0.5 |
Brugia malayi | PHD-finger family protein | 0.0026 | 0.05 | 0.117 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0032 | 0.0836 | 0.2446 |
Schistosoma mansoni | hypothetical protein | 0.0039 | 0.1268 | 0.1268 |
Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0024 | 0.035 | 0.035 |
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0038 | 0.1202 | 0.1202 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.0078 | 0.0228 |
Trypanosoma brucei | cytochrome P450, putative | 0.0019 | 0.0078 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.1268 | 0.5 |
Loa Loa (eye worm) | CYP4Cod1 | 0.0019 | 0.0078 | 0.0228 |
Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0039 | 0.1268 | 0.1268 |
Loa Loa (eye worm) | cytochrome P450 family protein | 0.0019 | 0.0078 | 0.0228 |
Echinococcus multilocularis | geminin | 0.0182 | 1 | 1 |
Brugia malayi | hypothetical protein | 0.0039 | 0.1268 | 0.3294 |
Mycobacterium ulcerans | cytochrome P450 185A4 Cyp185A4 | 0.0019 | 0.0078 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0182 | 1 | 1 |
Loa Loa (eye worm) | hypothetical protein | 0.0045 | 0.163 | 0.4769 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0038 | 0.1202 | 0.1202 |
Brugia malayi | Cytochrome P450 family protein | 0.0032 | 0.0836 | 0.2099 |
Schistosoma mansoni | transcription factor LCR-F1 | 0.0039 | 0.1268 | 0.1268 |
Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0062 | 0.2716 | 0.2716 |
Loa Loa (eye worm) | bromodomain containing protein | 0.0018 | 0.0039 | 0.0114 |
Echinococcus multilocularis | fetal alzheimer antigen, falz | 0.0024 | 0.035 | 0.035 |
Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.1357 | 0.3972 |
Echinococcus granulosus | fetal alzheimer antigen falz | 0.0024 | 0.035 | 0.035 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.1268 | 0.5 |
Schistosoma mansoni | hypothetical protein | 0.0182 | 1 | 1 |
Schistosoma mansoni | bromodomain containing protein | 0.0066 | 0.2944 | 0.2944 |
Loa Loa (eye worm) | hypothetical protein | 0.0043 | 0.1508 | 0.4413 |
Brugia malayi | Bromodomain containing protein | 0.0078 | 0.369 | 1 |
Echinococcus granulosus | zinc finger protein | 0.002 | 0.0161 | 0.0161 |
Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0062 | 0.2716 | 0.2716 |
Schistosoma mansoni | hypothetical protein | 0.0022 | 0.0228 | 0.0228 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.1268 | 0.5 |
Entamoeba histolytica | hypothetical protein | 0.0039 | 0.1268 | 0.5 |
Schistosoma mansoni | zinc finger protein | 0.002 | 0.0161 | 0.0161 |
Activity type | Activity value | Assay description | Source | Reference |
---|---|---|---|---|
IC50 (ADMET) | = 3 uM | Inhibition of CYP3A4 using diethoxyfluorescein substrate | ChEMBL. | 19846298 |
IC50 (ADMET) | = 3.3 uM | Inhibition of CYP2C9 | ChEMBL. | 19846298 |
IC50 (ADMET) | = 20 uM | Inhibition of CYP2C19 | ChEMBL. | 19846298 |
IC50 (ADMET) | = 29 uM | Inhibition of CYP1A2 | ChEMBL. | 19846298 |
IC50 (ADMET) | > 33 uM | Inhibition of CYP2D6 | ChEMBL. | 19846298 |
IC50 (ADMET) | = 90 uM | Inhibition of CYP3A4 using 7-benzyloxyquinoline substrate | ChEMBL. | 19846298 |
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.
1 literature reference was collected for this gene.