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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | GLA | P06280 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | CASP1 | P29466 | 3/20 | 0.56 |
| ▸ | CASP7 | P55210 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.56 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | KDR | P35968 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Propane SCHEMBL27925750 | 0.93 | MAOA (0.68) | MAOACA12CA9CA1ALDH1A1 | |
| SCHEMBL29474940 | 0.91 | MAOA (0.74) | MAOACA12CA9CA1ALDH1A1 | |
| SCHEMBL66891 | 0.91 | MAOA (0.74) | MAOACA12CA9CA1ALDH1A1 | |
| Ethylamine SCHEMBL8340171 | 0.90 | MAOA (0.64) | MAOACA12CA9CA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27839067 | 0.89 | MAOA (0.72) | MAOACA12CA9CA1ALDH1A1 | |
| Water SCHEMBL28315263 | 0.89 | MAOA (0.72) | MAOACA12CA9CA1ALDH1A1 | |
| SCHEMBL27924128 | 0.89 | MAOA (0.72) | MAOACA12CA9CA1ALDH1A1 | |
| Diethylamine SCHEMBL1306508 | 0.87 | MAOA (0.60) | MAOACA12CA9CA1ALDH1A1 | |
| Sulfuric Acid SCHEMBL28442474 | 0.86 | MAOA (0.64) | MAOACA12CA9CA1ALDH1A1 | |
| Acetic Acid SCHEMBL28045465 | 0.86 | MAOA (0.64) | MAOACA12CA9CA1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4330549-A | Coumarins connected via an oxyalkyl group with a piperidine ring having anti-allergic action | BOEHRINGER MANNHEIM GMBH (DE) | 1982-05-18 | — | — | US | disclosed |