Known targets — ChEMBL curated mechanism
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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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | CCR2 | P41597 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL6978770 | 0.95 | OPRL1 (0.46) | OPRL1NR3C1FBP1ALDH1A1TSHR | |
| SCHEMBL1356638 | 0.91 | OPRL1 (0.53) | OPRL1FBP1ALDH1A1TSHRCCR2 | |
| SCHEMBL2042478 | 0.85 | OPRL1 (0.51) | OPRL1FBP1ALDH1A1TSHRCCR2 | |
| SCHEMBL12844429 | 0.79 | OPRL1 (0.44) | OPRL1NR3C1FBP1ALDH1A1CCR2 | |
| SCHEMBL13229274 | 0.76 | OPRL1 (0.57) | OPRL1ALDH1A1TSHRCCR2CYP3A4 | |
| SCHEMBL17151565 | 0.76 | OPRL1 (0.47) | OPRL1NR3C1ALDH1A1CCR2KCNH2 | |
| SCHEMBL9049881 | 0.75 | OPRL1 (0.49) | OPRL1ALDH1A1TSHRCCR2KCNH2 | |
| SCHEMBL1088704 | 0.75 | OPRL1 (0.49) | OPRL1ALDH1A1TSHRCCR2KCNH2 | |
| SCHEMBL21657083 | 0.74 | OPRL1 (0.43) | OPRL1NR3C1FBP1CCR2KCNH2 | |
| SCHEMBL745413 | 0.74 | OPRL1 (0.48) | OPRL1ALDH1A1TSHRCCR2KCNH2 |
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-1272488-A2 | TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001070738-A2 | TRI-ARYL-SUBSTITUTED-ETHANE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | WO | disclosed |