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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.37 |
| ▸ | KIF11 | P52732 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2065923 | 0.85 | TAAR1 (0.47) | TAAR1CYP1A2CYP2C9CYP2C19CHRM3 | |
| SCHEMBL2065906 | 0.85 | TAAR1 (0.47) | TAAR1CYP1A2CYP2C9CYP2C19CHRM3 | |
| SCHEMBL2065092 | 0.85 | TAAR1 (0.47) | TAAR1CYP1A2CYP2C9CYP2C19CHRM3 | |
| SCHEMBL28639570 | 0.82 | CYP2C19 (0.47) | CYP1A2CYP2C9CYP2C19CHRM3SMN1; SMN2 | |
| SCHEMBL12727017 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19CHRM3KIF11 | |
| SCHEMBL7671955 | 0.81 | TAAR1 (0.44) | TAAR1CYP1A2CYP2C9CYP2C19CHRM3 | |
| SCHEMBL14038639 | 0.81 | CYP2C19 (0.45) | CYP1A2CYP2C9CYP2C19CHRM3SMN1; SMN2 | |
| SCHEMBL13950356 | 0.81 | CYP1A2 (0.45) | TAAR1CYP1A2CYP2C9CYP2C19CHRM3 | |
| SCHEMBL1292634 | 0.80 | TAAR1 (0.50) | TAAR1CYP1A2CYP2C9CYP2C19CHRM3 | |
| SCHEMBL11522604 | 0.80 | SIGMAR1 (0.42) | TAAR1CYP1A2CYP2C9CYP2C19KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011032640-A2 | ALKOXYLATED TRIALKANOL AMINE CONDENSATES AND THE USE THEREOF AS DEMULSIFIERS | CLARIANT INTERNATIONAL LTD (CH) | 2011-03-24 | — | — | WO | disclosed |