Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CFD | P00746 | 1/20 | 0.36 |
| ▸ | GNRHR | P30968 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3385586 | 0.94 | IDO1 (0.41) | IDO1TDO2KCNH2CYP2D6CFD | |
| SCHEMBL20445808 | 0.94 | IDO1 (0.41) | IDO1TDO2KCNH2CYP2D6CFD | |
| SCHEMBL15705118 | 0.84 | IDO1 (0.39) | IDO1TDO2CFDGNRHRCYP3A4 | |
| SCHEMBL25194111 | 0.84 | IDO1 (0.39) | IDO1TDO2CFDGNRHRCYP3A4 | |
| SCHEMBL172519 | 0.83 | IDO1 (0.41) | IDO1TDO2CFDGNRHRCYP3A4 | |
| SCHEMBL4672694 | 0.81 | IDO1 (0.44) | IDO1TDO2CFDGNRHRCYP3A4 | |
| SCHEMBL3383956 | 0.80 | CFD (0.44) | IDO1TDO2KCNH2CYP2D6CFD | |
| SCHEMBL1728815 | 0.80 | IDO1 (0.39) | IDO1TDO2KCNH2CFDGNRHR | |
| SCHEMBL1727508 | 0.80 | IDO1 (0.39) | IDO1TDO2KCNH2CFDGNRHR | |
| SCHEMBL28537135 | 0.79 | CES2 (0.37) | IDO1TDO2KCNH2CYP2D6GNRHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473472-B | 2-aminoquinazoline derivatives as P70S6kinase inhibitors | 圣提内尔肿瘤学有限公司 | 2021-02-12 | — | — | CN | disclosed |