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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BCL9 | O00512 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL504327 | 0.95 | — | — | |
| SCHEMBL10181317 | 0.92 | — | — | |
| SCHEMBL28296309 | 0.92 | — | — | |
| SCHEMBL28335668 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL1491588 | 0.79 | — | — | |
| Alcohol SCHEMBL28694951 | 0.78 | ALDH1A1 (0.88) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL337863 | 0.76 | TSHR (0.44) | ALDH1A1TSHRTRPA1LMNAMAPT | |
| SCHEMBL4288902 | 0.75 | DGKA (0.61) | ALDH1A1CES2CES1TSHRDGKA | |
| SCHEMBL8645409 | 0.75 | DGKA (0.61) | ALDH1A1CES2CES1TSHRDGKA | |
| SCHEMBL20242397 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CES2CES1HDAC3HDAC1 |
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-0456799-A1 | IMPROVED METHOD OF PREPARING AN INTERMEDIATE FOR THE MANUFACTURE OF BAMBUTEROL. | ASTRA AB (SE) | 1991-11-21 | — | — | EP | disclosed |
| WO-1991008197-A1 | IMPROVED METHOD OF PREPARING AN INTERMEDIATE FOR THE MANUFACTURE OF BAMBUTEROL | AKTIEBOLAGET ASTRA (SE) | 1991-06-13 | — | — | WO | disclosed |