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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30522131 | 0.97 | ESR1 (0.39) | ESR1TRPM8CHRM3KIF11CYP19A1 | |
| SCHEMBL27463664 | 0.79 | CHRM3 (0.42) | ESR1CHRM3KIF11MEN1KMT2A | |
| SCHEMBL11622599 | 0.76 | KIF11 (0.47) | KIF11CYP19A1CYP2A6CYP3A4CYP3A5 | |
| Alcohol SCHEMBL29044345 | 0.72 | MAOA (0.46) | KIF11CYP19A1POLBALDH1A1 | |
| Alcohol SCHEMBL29044379 | 0.71 | KIF11 (0.43) | CHRM3KIF11CYP2A6CYP3A4CYP3A5 | |
| SCHEMBL30522142 | 0.69 | MAOA (0.48) | KIF11CYP19A1CYP2A6POLBALDH1A1 | |
| SCHEMBL3389968 | 0.66 | ESR1 (0.42) | ESR1CHRM3KIF11POLBMEN1 | |
| SCHEMBL7873455 | 0.65 | KIF11 (0.46) | KIF11CYP19A1CYP2A6MLYCDALDH1A1 | |
| SCHEMBL30522143 | 0.65 | KIF11 (0.46) | CHRM3KIF11CYP3A4CYP3A5ACSS2 | |
| Alcohol SCHEMBL29044335 | 0.65 | CYP2A6 (0.55) | KIF11CYP19A1CYP2A6MLYCDMEN1 |
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 |