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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.62 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.59 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.59 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.57 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.56 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.54 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.54 |
| ▸ | IDO1 | P14902 | 2/20 | 0.53 |
| ▸ | AGXT | P21549 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL43521 | 0.96 | TAAR1 (0.67) | TAAR1CHRM2CHRM1CHRM3CYP4F2 | |
| SCHEMBL81474 | 0.85 | CHRM2 (0.63) | TAAR1CHRM2CHRM1CHRM3SIGMAR1 | |
| SCHEMBL723511 | 0.84 | TAAR1 (0.77) | TAAR1CHRM2CHRM1CHRM3SIGMAR1 | |
| SCHEMBL30080050 | 0.84 | TAAR1 (0.77) | TAAR1CHRM2CHRM1CHRM3SIGMAR1 | |
| SCHEMBL23266720 | 0.84 | CHRM2 (0.61) | TAAR1CHRM2CHRM1CHRM3CYP4F2 | |
| SCHEMBL156300 | 0.82 | TAAR1 (0.69) | TAAR1CHRM2CHRM1CHRM3SIGMAR1 | |
| SCHEMBL15746740 | 0.82 | HDAC1 (0.62) | TAAR1CHRM2CHRM1CHRM3CYP4F2 | |
| SCHEMBL17274721 | 0.82 | HDAC1 (0.62) | TAAR1CHRM2CHRM1CHRM3CYP4F2 | |
| 1,3-Dimethoxybenzene SCHEMBL27952551 | 0.82 | MAPK1 (0.58) | TAAR1MTNR1BIDO1AGXT | |
| SCHEMBL8045887 | 0.81 | CYP4F2 (0.67) | TAAR1CHRM2CHRM1CHRM3CYP4F2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773853-A1 | MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS | Sumitomo Chemical Company, Limited (JP) | 2007-04-18 | — | — | EP | disclosed |
| WO-2005121157-A1 | MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2005-12-22 | — | — | WO | disclosed |