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 | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 15/20 | 0.47 |
| ▸ | NMBR | P28336 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3573464 | 0.96 | SIRT2 (0.49) | SIRT2NMBRALDH1A1NPC1 | |
| SCHEMBL7713289 | 0.94 | SIRT2 (0.46) | SIRT2NMBRALDH1A1NPC1 | |
| Acetic Acid SCHEMBL7659782 | 0.81 | SIRT2 (0.47) | SIRT2NMBR | |
| SCHEMBL10877507 | 0.79 | SIRT2 (0.41) | SIRT2NMBRALDH1A1 | |
| SCHEMBL10871413 | 0.79 | SIRT2 (0.41) | SIRT2NMBRALDH1A1 | |
| SCHEMBL23278623 | 0.79 | SIRT2 (0.46) | SIRT2NMBR | |
| SCHEMBL14901171 | 0.79 | SIRT2 (0.46) | SIRT2NMBR | |
| SCHEMBL6777569 | 0.79 | SIRT2 (0.48) | SIRT2NMBRALDH1A1 | |
| SCHEMBL14289994 | 0.78 | SIRT2 (0.46) | SIRT2NMBR | |
| SCHEMBL730012 | 0.78 | SIRT2 (0.46) | SIRT2NMBR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090011-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1090011-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0981728-A2 | RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS | Merck & Co., Inc. (US) | 2000-03-01 | — | — | EP | disclosed |
| WO-2000001701-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |
| WO-1999000654-A2 | RADIOLABELED FARNESYL-PROTEIN TRANSFERASE INHIBITORS | MERCK & CO., INC. (US) | 1999-01-07 | — | — | WO | disclosed |