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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL191996 | 0.89 | ACHE (0.59) | PTGS2MAPTCYP3A4CYP19A1GAA | |
| Hydrochloric Acid SCHEMBL4381078 | 0.86 | ACHE (0.56) | PTGS2MAPTCYP3A4CYP19A1GAA | |
| Ammonia Solution, Strong SCHEMBL4946565 | 0.86 | ACHE (0.56) | PTGS2MAPTCYP3A4CYP19A1GAA | |
| SCHEMBL12626305 | 0.82 | PDE4A (0.47) | PTGS2MAPTCYP3A4CYP19A1GAA | |
| SCHEMBL13359272 | 0.79 | PTGS2 (0.50) | PTGS2MAPTCYP19A1GAAKDM4E | |
| Chloroacetic Acid SCHEMBL6922152 | 0.79 | ALDH1A1 (0.46) | MAPTCYP3A4CYP19A1KDM4EHTR2C | |
| SCHEMBL2039487 | 0.79 | HTR2A (0.50) | PTGS2MAPTCYP19A1GAAKDM4E | |
| SCHEMBL7511994 | 0.78 | GAA (0.63) | PTGS2MAPTCYP19A1GAAKDM4E | |
| SCHEMBL191032 | 0.78 | TPMT (0.53) | MAPTCYP3A4CYP19A1KDM4EACHE | |
| SCHEMBL909800 | 0.78 | ACHE (0.48) | PTGS2MAPTCYP3A4CYP19A1GAA |
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-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |