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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.54 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30934 | 0.90 | TRPA1 (0.77) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL15101101 | 0.88 | TRPA1 (1.00) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| Water SCHEMBL3896311 | 0.87 | TRPA1 (0.74) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL1140503 | 0.87 | TRPA1 (0.74) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL1406203 | 0.86 | TRPA1 (0.67) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL9735526 | 0.85 | TRPA1 (0.71) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| Naphthalene SCHEMBL17141391 | 0.83 | TRPA1 (0.68) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL21852752 | 0.83 | TRPA1 (0.69) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL19725385 | 0.83 | TRPA1 (0.69) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 | |
| SCHEMBL234669 | 0.83 | TRPA1 (0.69) | TRPA1CYP2D6SIGMAR1TAAR1SLC6A2 |
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-1373287-A1 | PROCESS FOR OBTAINING LIGNAN, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Shukla, Rishi (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002077003-A1 | PROCESS FOR OBTAINING LIGNAN, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | ARCHER-DANIELS-MIDLAND COMPANY (US) | 2002-10-03 | — | — | WO | disclosed |