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 | |
|---|---|---|---|---|
| ▸ | VNN1 | O95497 | 13/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | RARG | P13631 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8417455 | 0.98 | VNN1 (0.68) | VNN1MEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL8417457 | 0.98 | VNN1 (0.68) | VNN1MEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL10875319 | 0.91 | VNN1 (0.62) | VNN1MEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL9206200 | 0.87 | VNN1 (0.58) | VNN1MEN1ALDH1A1KMT2APTGS1 | |
| Niacin SCHEMBL810843 | 0.85 | VNN1 (0.53) | VNN1MEN1KMT2AHRH4CYP3A4 | |
| SCHEMBL22170769 | 0.84 | VNN1 (0.62) | VNN1PTGS1KCNH2 | |
| Benzoic Acid SCHEMBL30829399 | 0.83 | VNN1 (0.58) | VNN1PTGS1KCNH2CYP3A4CYP2D6 | |
| Pantothenic Acid, Racemic SCHEMBL27682059 | 0.83 | VNN1 (0.64) | VNN1PTGS1KCNH2 | |
| SCHEMBL10876013 | 0.80 | MEN1 (0.52) | VNN1MEN1ALDH1A1HPGDKMT2A | |
| SCHEMBL10878029 | 0.80 | MEN1 (0.54) | VNN1MEN1ALDH1A1HPGDKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1832720-B | New branched sulfates for use in personal care formulations | RHODIA | 2010-05-12 | — | — | CN | disclosed |
| CN-1832720-A | New branched sulfates for use in personal care formulations | RHODIA (US) | 2006-09-13 | — | — | CN | disclosed |