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 | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | KDM5C | P41229 | 1/20 | 0.50 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.50 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28219205 | 0.89 | ALDH1A1 (0.62) | CTSDGAAALDH1A1KDM4EKDM5C | |
| SCHEMBL49856 | 0.89 | ALDH1A1 (0.62) | CTSDGAAALDH1A1KDM4EKDM5C | |
| SCHEMBL402128 | 0.87 | — | — | |
| Acetone SCHEMBL6392906 | 0.86 | CTSD (0.59) | CTSDGAAALDH1A1KDM4EKDM5C | |
| Acetone SCHEMBL22554792 | 0.86 | CTSD (0.59) | CTSDGAAALDH1A1KDM4EKDM5C | |
| Ethylene Glycol SCHEMBL15651364 | 0.86 | GAA (0.63) | CTSDGAAALDH1A1KDM4EKDM5C | |
| Ammonia Solution, Strong SCHEMBL15129241 | 0.86 | ALDH1A1 (0.60) | CTSDGAAALDH1A1KDM4EKDM5C | |
| SCHEMBL4187314 | 0.86 | KDM4E (0.65) | CTSDGAAALDH1A1KDM4EKDM5C | |
| SCHEMBL219713 | 0.86 | ALDH1A1 (0.67) | CTSDGAAALDH1A1KDM4EKDM5C | |
| SCHEMBL10396767 | 0.86 | ALDH1A1 (0.67) | CTSDGAAALDH1A1KDM4EKDM5C |
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-110269749-B | Directional drainage dressing for maintaining proper moisture of wound and preparation method thereof | 东华大学 | 2020-08-14 | — | — | CN | disclosed |
| CN-110269749-A | A kind of orientation drain dressing and preparation method thereof for maintaining wound moderately to moisten | 东华大学 | 2019-09-24 | — | — | CN | disclosed |
| CN-108484433-A | A kind of synthetic method of adipic dihydrazide | 重庆锦杉科技有限公司 | 2018-09-04 | — | — | CN | disclosed |
| CN-107963980-A | The synthetic method of adipic dihydrazide | 重庆晶萃化工科技有限公司 | 2018-04-27 | — | — | CN | disclosed |