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 | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | PRNP | P04156 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2297368 | 0.99 | ALOX5 (0.48) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL2297048 | 0.94 | PTGS2 (0.53) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL2298781 | 0.89 | ALOX5 (0.61) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL6119297 | 0.89 | ALOX5 (0.48) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL6118798 | 0.89 | ALOX5 (0.46) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL2298331 | 0.88 | CYP2C9 (0.46) | ALOX5MEN1KMT2AGAAL3MBTL1 | |
| SCHEMBL6120010 | 0.84 | MEN1 (0.55) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL2297373 | 0.84 | ALOX5 (0.46) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL12293636 | 0.83 | MEN1 (0.60) | ALOX5MEN1KMT2APRNPGAA | |
| SCHEMBL6125997 | 0.83 | ANO1 (0.44) | KDM4EHPGDALDH1A1HSD17B10CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2655362-A1 | HEPATITIS C INHIBITORS AND USES THEREOF | Abbvie Inc. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087833-A1 | HEPATITIS C INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2012-06-28 | — | — | WO | disclosed |