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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL599364 | 0.91 | — | — | |
| Alcohol SCHEMBL18290914 | 0.77 | TSHR (0.47) | TSHRALDH1A1CYP3A4NPC1RAB9A | |
| SCHEMBL905558 | 0.77 | — | — | |
| Bicarbonate SCHEMBL28809113 | 0.76 | TSHR (0.33) | TSHRALDH1A1CYP3A4TDP1 | |
| SCHEMBL30083352 | 0.76 | — | — | |
| SCHEMBL197921 | 0.75 | TSHR (0.34) | TSHRALDH1A1 | |
| SCHEMBL555029 | 0.75 | — | — | |
| SCHEMBL8021110 | 0.74 | CYP3A4 (0.35) | TSHRALDH1A1CYP3A4TDP1 | |
| Bicarbonate SCHEMBL28747310 | 0.73 | CYP3A4 (0.38) | TSHRALDH1A1CYP3A4SMN1; SMN2TDP1 | |
| SCHEMBL9718507 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6156889-A | Reagent useful for cleaving a protected functional group | RHODIA CHIMIE (FR) | 2000-12-05 | — | — | US | disclosed |