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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.30 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.30 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.30 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.30 |
| ▸ | SHBG | P04278 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132298 | 0.91 | CA1 (0.43) | CA1CA2CA4GBA1SLC6A4 | |
| SCHEMBL6907590 | 0.88 | CA1 (0.42) | CA1CA2CA4GBA1SLC6A4 | |
| SCHEMBL6902583 | 0.88 | CA1 (0.42) | CA1CA2CA4GBA1SLC6A4 | |
| SCHEMBL6905830 | 0.88 | CA1 (0.42) | CA1CA2CA4GBA1SLC6A4 | |
| SCHEMBL349547 | 0.77 | GBA1 (0.42) | CA1CA2CA4GBA1TRPA1 | |
| SCHEMBL1132729 | 0.76 | CA1 (0.43) | CA1CA2CA4GBA1SLC6A4 | |
| Alcohol SCHEMBL3146920 | 0.75 | SHBG (0.46) | CA1CA2SHBG | |
| SCHEMBL6908646 | 0.75 | TRPA1 (0.38) | CA1CA2CA4GBA1SLC6A4 | |
| SCHEMBL18595189 | 0.74 | CA1 (0.41) | CA1CA2CA4GBA1SLC6A4 | |
| SCHEMBL4840529 | 0.74 | CA1 (0.41) | CA1CA2CA4GBA1SLC6A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1352948-A1 | Concentrated, stable, fabric softening composition | THE PROCTER & GAMBLE COMPANY (US) | 2003-10-15 | — | — | EP | disclosed |