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 | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14371227 | 0.94 | — | — | |
| SCHEMBL123229 | 0.94 | — | — | |
| Benzene SCHEMBL12467314 | 0.86 | ALOX15 (0.41) | ALOX15MEN1CYP3A4KMT2A | |
| Alcohol SCHEMBL461667 | 0.79 | — | — | |
| SCHEMBL6479838 | 0.77 | ALOX15 (0.43) | ALOX15MEN1CYP3A4KMT2A | |
| SCHEMBL5052737 | 0.77 | — | — | |
| SCHEMBL544798 | 0.76 | TSHR (0.38) | ALOX15TSHRALDH1A1TDP1 | |
| SCHEMBL544797 | 0.76 | TSHR (0.38) | ALOX15TSHRALDH1A1TDP1 | |
| SCHEMBL27529971 | 0.73 | ALOX15 (0.61) | ALOX15MEN1CYP3A4KMT2ATSHR | |
| SCHEMBL8917412 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5639894-A | REACTING NEROLIDOL, FARNESOL, OR THEIR MONOCYCLIC ANALOGUES WITH CARBON MONOXIDE IN PRESENCE OF PALLADIUM HALIDE CATALYSTS, REDUCING THE INTERMEDIATE EITHER ACID OR ESTER FORM TO ALCOHOL FORM, AND CYCLIZING WITH ACID CATALYST | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1997-06-17 | — | — | US | disclosed |
| EP-0553205-B1 | CARBONYLATION OF ALLYLIC ALCOHOLS AND SYNTHESIS OF AN AMBERGRIS FRAGRANCE COMPOUND | HENKEL RESEARCH CORP (US) | 1996-04-10 | — | — | EP | disclosed |