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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 8/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536285 | 0.98 | ALOX5 (0.37) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8534407 | 0.84 | ALOX5 (0.33) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL8534356 | 0.84 | ALOX5 (0.33) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8931175 | 0.83 | ALOX5 (0.33) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| Alcohol SCHEMBL8867586 | 0.81 | — | — | |
| SCHEMBL8931167 | 0.80 | PTGS1 (0.31) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| SCHEMBL976105 | 0.79 | — | — | |
| SCHEMBL8534319 | 0.76 | MAPT (0.31) | NR1I2 | |
| SCHEMBL5671986 | 0.75 | PTGS1 (0.31) | ALOX5PTGS1PTGS2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL8931178 | 0.75 | MAPT (0.30) | NR1I2 |
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-0813530-A1 | NOVEL PROCESS FOR PREPARING 2,3-DIHYDRO-BENZOFURANOL DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1997-12-29 | — | — | EP | disclosed |
| US-5698696-A | Process for preparing 2,3-dihydro-benzofuranol derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1997-12-16 | — | — | US | disclosed |
| WO-1996028437-A1 | NOVEL PROCESS FOR PREPARING 2,3-DIHYDRO-BENZOFURANOL DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1996-09-19 | — | — | WO | disclosed |