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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.62 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL34558 | 0.89 | HTR6 (0.77) | HTR6GAACYP2C9TSHRLMNA | |
| SCHEMBL3790370 | 0.80 | HTR6 (0.69) | HTR6GAACYP2C9TSHRLMNA | |
| SCHEMBL20723646 | 0.79 | HTR6 (0.71) | HTR6GAACYP2C9LMNAHKDC1 | |
| SCHEMBL2004711 | 0.79 | HTR6 (0.71) | HTR6GAACYP2C9CA12CA1 | |
| SCHEMBL395274 | 0.78 | HTR6 (1.00) | HTR6GAACYP2C9TSHRCA12 | |
| SCHEMBL30751995 | 0.78 | HTR6 (1.00) | HTR6GAACYP2C9TSHRCA12 | |
| Alcohol SCHEMBL28747060 | 0.77 | CA1 (0.76) | HTR6GAACYP2C9CA12CA1 | |
| SCHEMBL9464499 | 0.75 | HTR6 (0.71) | HTR6GAACYP2C9CYP3A4CA12 | |
| SCHEMBL6001994 | 0.75 | HTR6 (0.59) | HTR6GAACYP2C9TSHRLMNA | |
| SCHEMBL8865817 | 0.75 | HTR6 (0.74) | HTR6CYP2C9TSHRLMNAMPO |
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 |
|---|---|---|---|---|---|---|---|
| CN-1230416-C | Pharmaceutical compounds | NICOX SA (FR) | 2005-12-07 | — | — | CN | disclosed |