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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 20/20 | 0.94 |
| ▸ | ITGA4 | P13612 | 20/20 | 0.94 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.94 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.94 |
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 | |
|---|---|---|---|---|
| SCHEMBL6641625 | 0.97 | ITGB1 (1.00) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL480284 | 0.97 | ITGB1 (1.00) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL14802063 | 0.97 | ITGB1 (1.00) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6638294 | 0.96 | ITGB1 (0.98) | ITGB1ITGA4ITGA2ITGB7 | |
| Alcohol SCHEMBL6828408 | 0.94 | ITGB1 (0.96) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6828409 | 0.92 | ITGB1 (1.00) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL29646297 | 0.91 | ITGB1 (0.88) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6639281 | 0.90 | ITGB1 (0.88) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL6638576 | 0.90 | ITGB1 (0.92) | ITGB1ITGA4ITGA2ITGB7 | |
| SCHEMBL7542199 | 0.90 | ITGB1 (1.00) | ITGB1ITGA4ITGA2ITGB7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1154987-B1 | PHENYLALANINOL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-04-21 | — | — | EP | disclosed |
| US-6420600-B1 | HYDROXYALKYLPHENYLDIAMIDES | HOFFMAN-LA ROCHE INC. | 2002-07-16 | — | — | US | disclosed |
| EP-1154987-A1 | PHENYLALANINOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000048988-A1 | PHENYLALANINOL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-24 | — | — | WO | disclosed |