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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL937251 | 0.94 | TDP1 (0.44) | TDP1PLAUCYP3A4TSHRALDH1A1 | |
| SCHEMBL1072933 | 0.81 | TDP1 (0.50) | TDP1PLAUCYP3A4TSHRALDH1A1 | |
| SCHEMBL27928247 | 0.78 | ALDH1A1 (0.44) | TDP1PLAUCYP3A4TSHRALDH1A1 | |
| SCHEMBL4165020 | 0.78 | TDP1 (0.46) | TDP1CYP3A4TSHRALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL8189467 | 0.76 | TDP1 (0.45) | TDP1CYP3A4TSHRALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL10535811 | 0.76 | TDP1 (0.45) | TDP1CYP3A4TSHRALDH1A1ALOX15 | |
| Alcohol SCHEMBL15465987 | 0.75 | TDP1 (0.54) | TDP1CYP3A4TSHRALDH1A1ALOX15 | |
| SCHEMBL819617 | 0.74 | ALDH1A1 (0.57) | TDP1CYP3A4TSHRALDH1A1ALOX15 | |
| SCHEMBL28765035 | 0.74 | TDP1 (0.43) | TDP1CYP3A4TSHRALDH1A1ALOX15 | |
| SCHEMBL2937099 | 0.73 | KCNH3 (0.54) | TDP1CYP3A4TSHRALDH1A1ALOX15 |
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-1421154-A1 | POLYMER DYE AND METHOD FOR PRODUCING THE SAME, AND ITS USE IN LIGHT-EMITTING DIODES AND OTHER OPTICAL COMPONENTS | FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) | 2004-05-26 | — | — | EP | disclosed |
| WO-2003018711-A1 | POLYMER DYE AND METHOD FOR PRODUCING THE SAME, AND ITS USE IN LIGHT-EMITTING DIODES AND OTHER OPTICAL COMPONENTS | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2003-03-06 | — | — | WO | disclosed |