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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 4/20 | 0.52 |
| ▸ | CYP4A11 | Q02928 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | IGF1R | P08069 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20413 | 0.95 | CA2 (0.59) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| SCHEMBL15725304 | 0.88 | CA2 (0.52) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| Formaldehyde SCHEMBL17697788 | 0.88 | CA2 (0.52) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| SCHEMBL15853471 | 0.87 | CA2 (0.46) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| SCHEMBL9009517 | 0.87 | CA2 (0.46) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| Toluene SCHEMBL1120065 | 0.86 | TDP1 (0.65) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| Toluene SCHEMBL1290122 | 0.86 | TDP1 (0.65) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| Toluene SCHEMBL2589614 | 0.86 | TDP1 (0.65) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| Toluene SCHEMBL9412512 | 0.86 | TDP1 (0.65) | CA2CYP1A2CYP2A6TAAR1CYP4F2 | |
| Toluene SCHEMBL9501175 | 0.86 | TDP1 (0.65) | CA2CYP1A2CYP2A6TAAR1CYP4F2 |
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 |