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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Chloroform SCHEMBL537028 | 0.90 | ALDH1A1 (0.40) | TSHRALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL27936530 | 0.90 | ALDH1A1 (0.46) | TSHRALDH1A1 | |
| Chloroform SCHEMBL8348906 | 0.88 | ALDH1A1 (0.38) | TSHRALDH1A1CYP1A2CYP2C9HPGD | |
| Alcohol SCHEMBL4601428 | 0.83 | — | — | |
| Alcohol SCHEMBL48558 | 0.83 | ALDH1A1 (0.55) | TSHRALDH1A1CYP1A2CYP2C9HPGD | |
| Alcohol SCHEMBL946131 | 0.80 | ALDH1A1 (0.43) | TSHRALDH1A1CYP1A2CYP2C9HPGD | |
| Chloroform SCHEMBL83188 | 0.80 | CYP2C9 (0.32) | ALDH1A1CYP1A2CYP2C9HPGDMAPK1 | |
| Alcohol SCHEMBL11582714 | 0.79 | ALDH1A1 (0.50) | TSHRALDH1A1CYP1A2CYP2C9HPGD | |
| Alcohol SCHEMBL18837465 | 0.79 | ALDH1A1 (0.50) | TSHRALDH1A1CYP1A2CYP2C9HPGD | |
| Alcohol SCHEMBL974601 | 0.79 | ALDH1A1 (0.50) | TSHRALDH1A1CYP1A2CYP2C9HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437246-B | Method for separating neogambogic acid, gambogic acid and N-aryl gambogic amide by medium-low pressure gradient silica gel dry column chromatography | 济宁医学院 | 2021-05-11 | — | — | CN | claimed |
| CN-110437246-A | The method that mesolow gradient silica gel dry column chromatography separates Neo-garcinolic acid, gambogicacid and the preparation of N- aryl gamboge amide | UNIV JINING MEDICAL | 2019-11-12 | — | — | CN | claimed |
| CN-110437246-B | Method for separating neogambogic acid, gambogic acid and N-aryl gambogic amide by medium-low pressure gradient silica gel dry column chromatography | 济宁医学院 | 2021-05-11 | — | — | CN | disclosed |
| CN-110437246-A | The method that mesolow gradient silica gel dry column chromatography separates Neo-garcinolic acid, gambogicacid and the preparation of N- aryl gamboge amide | UNIV JINING MEDICAL | 2019-11-12 | — | — | CN | disclosed |