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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | KIF11 | P52732 | 3/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30522137 | 0.93 | CYP2A6 (0.64) | CYP2A6ALDH1A1KIF11EPHX2MEN1 | |
| Alcohol SCHEMBL29044341 | 0.82 | MAOA (0.47) | CYP2A6ALDH1A1KIF11CYP19A1 | |
| Alcohol SCHEMBL29044339 | 0.79 | MEN1 (0.44) | CYP2A6KIF11EPHX2MEN1KMT2A | |
| SCHEMBL2241220 | 0.78 | KIF11 (0.52) | CYP2A6ALDH1A1KIF11EPHX2MEN1 | |
| SCHEMBL11511029 | 0.77 | TSHR (0.60) | ALDH1A1MEN1KMT2AACHETSHR | |
| SCHEMBL24817397 | 0.77 | CYP2A6 (0.61) | CYP2A6ALDH1A1KIF11EPHX2BCHE | |
| SCHEMBL452773 | 0.75 | CYP2A6 (0.73) | CYP2A6ALDH1A1KIF11EPHX2KMT2A | |
| SCHEMBL29498838 | 0.75 | KIF11 (0.58) | CYP2A6ALDH1A1KIF11EPHX2MEN1 | |
| P-Xylene SCHEMBL3926102 | 0.74 | CYP2A6 (1.00) | CYP2A6ALDH1A1KIF11KMT2ABCHE | |
| SCHEMBL46818 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114921801-B | Method for directly hydroxyaryl benzylic carbon through paired electrochemical series reaction | 西南大学 | 2023-08-04 | — | — | CN | disclosed |