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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL111850 | 0.89 | TRPA1 (0.47) | TRPA1LMNACYP2D6KMT2AMEN1 | |
| SCHEMBL292576 | 0.89 | TRPA1 (0.47) | TRPA1LMNACYP2D6KMT2AMEN1 | |
| SCHEMBL60688 | 0.89 | TRPA1 (0.47) | TRPA1LMNACYP2D6KMT2AMEN1 | |
| SCHEMBL717611 | 0.89 | TRPA1 (0.47) | TRPA1LMNACYP2D6KMT2AMEN1 | |
| Ethylamine SCHEMBL29180064 | 0.88 | TAAR1 (0.48) | TRPA1LMNAKDM4ETAAR1 | |
| Methane SCHEMBL17748810 | 0.87 | TRPA1 (0.45) | TRPA1LMNACYP2D6KMT2AMEN1 | |
| SCHEMBL7268271 | 0.87 | TRPA1 (0.45) | TRPA1LMNACYP2D6KMT2AMEN1 | |
| Fluoride SCHEMBL28047949 | 0.87 | TRPA1 (0.45) | TRPA1LMNACYP2D6KMT2AMEN1 | |
| SCHEMBL7648681 | 0.83 | CYP2D6 (0.52) | TRPA1LMNACYP2D6KMT2AKDM4E | |
| Ethylene Glycol SCHEMBL17267405 | 0.83 | TRPA1 (0.44) | TRPA1LMNACYP2D6KMT2AALDH1A1 |
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-0863895-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997018203-A1 | PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-22 | — | — | WO | disclosed |