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 | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.79 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.61 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.61 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.61 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL11054490 | 0.89 | CYP2A6 (0.91) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL61517 | 0.89 | CYP2A6 (1.00) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL21738372 | 0.87 | CYP2A6 (0.86) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL28322492 | 0.87 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL6593779 | 0.87 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Water SCHEMBL28553448 | 0.87 | CYP2A6 (0.95) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL28741440 | 0.86 | CYP2A6 (0.70) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Monoethanolamine SCHEMBL28535065 | 0.86 | CYP2A6 (0.70) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL20657879 | 0.85 | CYP2A6 (0.91) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| Alcohol SCHEMBL28077246 | 0.84 | ALDH1A1 (0.58) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110664750-B | Radix bupleuri nano preparation, preparation method, detection method and application | 贵州中医药大学 | 2022-03-15 | — | — | CN | claimed |
| CN-112300242-B | Preparation method of furostanol saponin compound monomer | 吉林大学 | 2021-10-26 | — | — | CN | claimed |
| CN-109406651-B | Quality detection method of medicinal composition for treating restlessness | 贵州大隆药业有限责任公司 | 2021-06-25 | — | — | CN | claimed |
| CN-109369769-B | Method for extracting and separating hecolone monomer from stems and leaves of tribulus terrestris | 吉林大学 | 2020-10-30 | — | — | CN | claimed |
| CN-110664750-A | Radix bupleuri nano preparation, preparation method, detection method and application | 贵州中医药大学 | 2020-01-10 | — | — | CN | claimed |
| CN-115677816-B | Novel furostanol saponin monomer and preparation method thereof | 吉林大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-110664750-B | Radix bupleuri nano preparation, preparation method, detection method and application | 贵州中医药大学 | 2022-03-15 | — | — | CN | disclosed |
| CN-112300242-B | Preparation method of furostanol saponin compound monomer | 吉林大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-109406651-B | Quality detection method of medicinal composition for treating restlessness | 贵州大隆药业有限责任公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-112300242-A | Preparation method of furostanol saponin compound monomer | 吉林大学 | 2021-02-02 | — | — | CN | disclosed |
| CN-109369769-B | Method for extracting and separating hecolone monomer from stems and leaves of tribulus terrestris | 吉林大学 | 2020-10-30 | — | — | CN | disclosed |
| CN-110664750-A | Radix bupleuri nano preparation, preparation method, detection method and application | 贵州中医药大学 | 2020-01-10 | — | — | CN | disclosed |
| CN-110028807-A | A kind of reactive navy blue is to black dye composition and dye preparations | 浙江科永化工有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-109971208-A | A kind of reactive dye compound and its preparation method and application | 浙江科永化工有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-109777399-A | The preparation method of organic microparticles as aggressive mode Echo Wall optical microcavity | 苏州大学 | 2019-05-21 | — | — | CN | disclosed |