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 | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.70 |
| ▸ | POLB | P06746 | 2/20 | 0.70 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.66 |
| ▸ | CES1 | P23141 | 2/20 | 0.66 |
| ▸ | CES2 | O00748 | 1/20 | 0.66 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | CRHBP | P24387 | 1/20 | 0.54 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | MITF | O75030 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL27828677 | 0.93 | MAPK1 (0.70) | MAPK1POLBSRD5A2CES1CES2 | |
| Butane SCHEMBL28322989 | 0.93 | MAPK1 (0.70) | MAPK1POLBSRD5A2CES1CES2 | |
| Propionic Acid SCHEMBL28297975 | 0.92 | MAPK1 (0.68) | MAPK1POLBSRD5A2CES1CES2 | |
| Ethylamine SCHEMBL27510674 | 0.92 | MAPK1 (0.68) | MAPK1POLBSRD5A2CES1CES2 | |
| Ethane SCHEMBL28237274 | 0.91 | MAPK1 (0.77) | MAPK1POLBSRD5A2CES1CES2 | |
| Methyl Alcohol SCHEMBL28111710 | 0.91 | MAPK1 (0.77) | MAPK1POLBSRD5A2CES1CES2 | |
| SCHEMBL229627 | 0.91 | POLB (0.82) | MAPK1POLBSRD5A2CES1CES2 | |
| Benzophenone SCHEMBL28231509 | 0.91 | POLB (0.82) | MAPK1POLBSRD5A2CES1CES2 | |
| Chloromethane SCHEMBL28092918 | 0.89 | MAPK1 (0.74) | MAPK1POLBSRD5A2CES1CES2 | |
| Acetone SCHEMBL27736525 | 0.89 | MAPK1 (0.74) | MAPK1POLBSRD5A2CES1CES2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106282257-A | A kind of method that two-phase multienzyme coupling system efficiently prepares (S) 2 (4 nitrobenzophenone) oxirane | 江南大学 | 2017-01-04 | — | — | CN | claimed |
| CN-110498745-A | A kind of method that ethylbenzene and its derivatives selectively oxidation prepare acetophenone and its derivative | UNIV ZHEJIANG TECHNOLOGY | 2019-11-26 | — | — | CN | disclosed |
| CN-106282257-A | A kind of method that two-phase multienzyme coupling system efficiently prepares (S) 2 (4 nitrobenzophenone) oxirane | 江南大学 | 2017-01-04 | — | — | CN | disclosed |