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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | P2RY4 | P51582 | 8/20 | 0.55 |
| ▸ | GNG2 | P59768 | 3/20 | 0.51 |
| ▸ | GNB1 | P62873 | 3/20 | 0.51 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.50 |
| ▸ | P2RY2 | P41231 | 7/20 | 0.48 |
| ▸ | ENTPD1 | P49961 | 2/20 | 0.48 |
| ▸ | P2RY6 | Q15077 | 2/20 | 0.48 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.48 |
| ▸ | MET | P08581 | 2/20 | 0.47 |
| ▸ | HGF | P14210 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL581829 | 0.84 | MEN1 (0.62) | MEN1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL582954 | 0.84 | MEN1 (0.62) | MEN1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL14011380 | 0.82 | MEN1 (0.54) | MEN1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL14069692 | 0.82 | GNG2 (0.67) | P2RY4GNG2GNB1P2RY12P2RY2 | |
| SCHEMBL12837489 | 0.82 | P2RY4 (0.65) | P2RY4GNG2GNB1P2RY12P2RY2 | |
| SCHEMBL582631 | 0.81 | MEN1 (0.57) | MEN1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL375688 | 0.80 | LMNA (0.87) | MEN1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL13135364 | 0.80 | LMNA (0.77) | MEN1NPC1LMNAMAPTMAPK1 | |
| SCHEMBL12837490 | 0.79 | PHLPP2 (0.73) | MEN1NPC1MAPTRAB9AKMT2A | |
| SCHEMBL14011363 | 0.77 | P2RY4 (0.57) | P2RY4GNG2GNB1P2RY12P2RY2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1487920-B1 | ANTHRAQUINONE DYES | HUNTSMAN ADV MAT SWITZERLAND (CH) | 2012-02-15 | — | — | EP | disclosed |
| EP-1487920-A1 | ANTHRAQUINONE DYES | Ciba SC Holding AG (CH) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003080734-A1 | ANTHRAQUINONE DYES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-10-02 | — | — | WO | disclosed |