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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 5/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6303895 | 0.90 | CYP19A1 (0.59) | CYP19A1MAOAMAOBNFE2L2TRPA1 | |
| SCHEMBL6303896 | 0.90 | CYP19A1 (0.59) | CYP19A1MAOAMAOBNFE2L2TRPA1 | |
| 1-Pentanol SCHEMBL27870833 | 0.89 | CYP19A1 (0.41) | CYP19A1MAOAMAOBTRPA1TTR | |
| Hydrochloric Acid SCHEMBL6388866 | 0.88 | CYP19A1 (0.57) | CYP19A1MAOAMAOBNFE2L2TRPA1 | |
| Hydrochloric Acid SCHEMBL6388867 | 0.88 | CYP19A1 (0.57) | CYP19A1MAOAMAOBNFE2L2TRPA1 | |
| SCHEMBL5337735 | 0.77 | CYP19A1 (0.57) | CYP19A1MAOAMAOBNFE2L2TRPA1 | |
| (Z)-1,2-Diphenylethene SCHEMBL1679623 | 0.76 | NFE2L2 (0.56) | CYP19A1MAOAMAOBNFE2L2TRPA1 | |
| SCHEMBL29107949 | 0.76 | ALDH1A1 (0.48) | CYP19A1MAOAMAOBNFE2L2TRPA1 | |
| SCHEMBL28524009 | 0.76 | NFE2L2 (0.55) | CYP19A1MAOAMAOBNFE2L2 | |
| SCHEMBL11510148 | 0.75 | CYP19A1 (0.59) | CYP19A1MAOAMAOBNFE2L2TRPA1 |
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-107034247-A | The oxidation and amination of secondary alcohol | 赢创德固赛有限公司 | 2017-08-11 | — | — | CN | disclosed |