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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.82 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14598 | 0.91 | — | — | |
| SCHEMBL29390378 | 0.91 | — | — | |
| Monoethanolamine SCHEMBL6327505 | 0.90 | ALDH1A1 (0.72) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL7772203 | 0.88 | ALDH1A1 (0.95) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL30727463 | 0.88 | ALDH1A1 (0.95) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL6469327 | 0.88 | ALDH1A1 (0.95) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| Iodide SCHEMBL28354404 | 0.88 | ALDH1A1 (0.95) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| Hydrochloric Acid SCHEMBL892262 | 0.88 | ALDH1A1 (0.95) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL21840888 | 0.88 | ALDH1A1 (0.95) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 | |
| SCHEMBL357940 | 0.88 | ALDH1A1 (0.95) | ALDH1A1TDP1ADRA2BPTGS1CYP1A2 |
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-3955926-A | COLORIMETRIC ANALYSIS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-05-11 | — | — | US | disclosed |