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 | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4077892 | 0.94 | TDP1 (0.50) | AOC3TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL27825950 | 0.94 | TDP1 (0.50) | AOC3TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL5873439 | 0.94 | TDP1 (0.50) | AOC3TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL550791 | 0.86 | AOC3 (0.48) | AOC3TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL3389900 | 0.86 | AOC3 (0.48) | AOC3TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL551822 | 0.86 | AOC3 (0.48) | AOC3TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL550790 | 0.86 | AOC3 (0.48) | AOC3TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL30801376 | 0.82 | SLC6A2 (0.54) | AOC3KDM4EALDH1A1LMNAL3MBTL1 | |
| SCHEMBL117950 | 0.82 | SLC6A2 (0.54) | AOC3KDM4EALDH1A1LMNAL3MBTL1 | |
| SCHEMBL29521427 | 0.79 | TDP1 (0.46) | TDP1KDM4EALDH1A1LMNAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103168035-B | Crystal formation of 4-isopropyl phenyl glucitol compounds and preparation method thereof | TAISHO PHARMACEUTICAL CO.,LTD. (JP) | 2016-01-20 | — | — | CN | claimed |
| CN-103168035-B | Crystal formation of 4-isopropyl phenyl glucitol compounds and preparation method thereof | TAISHO PHARMACEUTICAL CO.,LTD. (JP) | 2016-01-20 | — | — | CN | disclosed |