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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | DGKA | P23743 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.53 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | SI | P14410 | 1/20 | 0.52 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.52 |
| ▸ | PAM | P19021 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
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 SCHEMBL29278303 | 0.97 | CYP1A2 (0.67) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL19066941 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL33870 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL494356 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL1483107 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| Diethyl Octadecanedioate SCHEMBL496152 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL494584 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL440349 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL6055406 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 | |
| SCHEMBL495925 | 0.95 | CYP1A2 (0.70) | CYP1A2DGKAALDH1A1ALOX15TDP1 |
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-1044684-B1 | Percutaneously absorbable preparation | NITTO DENKO CORP (JP) | 2004-07-28 | — | — | EP | disclosed |
| EP-1044684-A2 | Percutaneously absorbable preparation | NITTO DENKO CORPORATION (JP) | 2000-10-18 | — | — | EP | disclosed |