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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 8/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
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 SCHEMBL9690926 | 0.86 | MAPT (0.48) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| Alcohol SCHEMBL9690924 | 0.85 | CYP1A2 (0.47) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| SCHEMBL10642392 | 0.84 | ADORA3 (0.42) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| Alcohol SCHEMBL9690854 | 0.83 | CYP1A2 (0.67) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| Alcohol SCHEMBL9691435 | 0.82 | CYP1A2 (0.51) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| Alcohol SCHEMBL9690855 | 0.82 | CYP2C9 (0.51) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| SCHEMBL9689499 | 0.81 | ADORA3 (0.62) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| SCHEMBL11003691 | 0.81 | ADORA3 (0.67) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 | |
| SCHEMBL11169731 | 0.80 | ALDH1A1 (0.36) | MAPTADORA3KDM4EALDH1A1SMN1; SMN2 | |
| Alcohol SCHEMBL9689492 | 0.80 | CACNA1C (0.44) | MAPTCYP1A2ADORA3CYP3A4CYP2C9 |
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 |