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 | |
|---|---|---|---|---|
| ▸ | CACNA1C | Q13936 | 5/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL9690924 | 0.87 | CYP1A2 (0.47) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| Alcohol SCHEMBL9690855 | 0.83 | CYP2C9 (0.51) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL11006676 | 0.81 | MAPT (0.58) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| Alcohol SCHEMBL9690926 | 0.80 | MAPT (0.48) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL11317222 | 0.80 | MEN1 (0.57) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| Alcohol SCHEMBL10817931 | 0.80 | ADORA3 (0.43) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| SCHEMBL10911431 | 0.78 | MAPT (0.42) | CACNA1CMAPTMEN1KMT2AGAA | |
| SCHEMBL10923028 | 0.78 | MAPT (0.39) | CACNA1CMAPTMEN1KMT2AGAA | |
| Alcohol SCHEMBL10815273 | 0.78 | MAPT (0.41) | CACNA1CADORA3MAPTCYP1A2CYP3A4 | |
| Alcohol SCHEMBL9690848 | 0.77 | MAPT (0.45) | CACNA1CADORA3MAPTCYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0071819-B2 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1992-06-10 | — | — | EP | disclosed |
| EP-0071819-B1 | DIHYDROPYRIDINES WITH A POSITIVE INOTROPIC ACTIVITY, THEIR USE IN PHARMACEUTICAL PREPARATIONS, AND PROCESSES FOR THEIR PREPARATION | BAYER AG (DE) | 1987-04-22 | — | — | EP | disclosed |
| EP-0071819-A1 | Dihydropyridines with a positive inotropic activity, their use in pharmaceutical preparations, and processes for their preparation | BAYER AG (DE) | 1983-02-16 | — | — | EP | disclosed |