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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | DAO | P14920 | 2/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.45 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30203725 | 0.96 | TAAR1 (0.63) | TAAR1HRH3TDP1CYP4F2CYP4A11 | |
| SCHEMBL296315 | 0.96 | TAAR1 (0.63) | TAAR1HRH3TDP1CYP4F2CYP4A11 | |
| SCHEMBL78906 | 0.83 | TAAR1 (0.59) | TAAR1HRH3CYP4F2CYP4A11IDO1 | |
| SCHEMBL30528053 | 0.83 | TAAR1 (0.59) | TAAR1HRH3CYP4F2CYP4A11IDO1 | |
| SCHEMBL9413536 | 0.82 | TAAR1 (0.48) | TAAR1HRH3TDP1CYP4F2CYP4A11 | |
| SCHEMBL8096473 | 0.82 | TAAR1 (0.74) | TAAR1HRH3IDO1DAOGPR84 | |
| SCHEMBL29596752 | 0.82 | TAAR1 (0.74) | TAAR1HRH3IDO1DAOGPR84 | |
| SCHEMBL5303210 | 0.82 | TAAR1 (0.57) | TAAR1HRH3CYP4F2CYP4A11IDO1 | |
| Butyl Alcohol SCHEMBL27857142 | 0.81 | TAAR1 (0.52) | TAAR1HRH3CYP4F2CYP4A11SLC5A2 | |
| SCHEMBL168757 | 0.80 | TAAR1 (0.65) | TAAR1HRH3IDO1DAOGPR84 |
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 |