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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HTR7 | P34969 | 3/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.47 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5464512 | 0.93 | ADRB1 (0.54) | ALDH1A1HTR7ADRB1SIRT6SLC6A9 | |
| SCHEMBL31096313 | 0.93 | ADRB1 (0.54) | ALDH1A1HTR7ADRB1SIRT6SLC6A9 | |
| Tert-Butyl Formate SCHEMBL27769726 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HTR7MITFCYP2D6ADRB1 | |
| SCHEMBL31439298 | 0.82 | MAPT (0.52) | ALDH1A1HTR7CYP2D6SLC6A9CYP1A2 | |
| SCHEMBL15687873 | 0.81 | ALDH1A1 (0.59) | ALDH1A1HTR7SLC6A9LMNAWDR5 | |
| SCHEMBL22465912 | 0.81 | GAA (0.61) | ALDH1A1HTR7CYP2D6SLC6A9LMNA | |
| SCHEMBL29378218 | 0.81 | GAA (0.61) | ALDH1A1HTR7CYP2D6SLC6A9LMNA | |
| SCHEMBL28258184 | 0.80 | SLC6A9 (0.44) | ALDH1A1HTR7MITFCYP2D6ADRB1 | |
| SCHEMBL853678 | 0.80 | CCNA2 (0.58) | ALDH1A1CYP2D6SIRT6SLC6A9LMNA | |
| SCHEMBL28402916 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HTR7SLC6A9LMNAWDR5 |
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-101291917-A | Diaryl urea derivatives for the treatment of protein kinase dependent diseases | NOVARTIS AG (CH) | 2008-10-22 | — | — | CN | disclosed |