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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.52 |
| ▸ | FEN1 | P39748 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL28026131 | 0.89 | CES2 (0.58) | CES2CES1PTPN1ERCC5FEN1 | |
| Methyl Alcohol SCHEMBL11566008 | 0.89 | CES2 (0.62) | CES2CES1PTPN1ERCC5FEN1 | |
| SCHEMBL3811314 | 0.89 | CES2 (0.68) | CES2CES1PTPN1ERCC5FEN1 | |
| SCHEMBL24446 | 0.89 | — | — | |
| Methylamine SCHEMBL27782227 | 0.87 | CES2 (0.60) | CES2CES1PTPN1ERCC5FEN1 | |
| Acetic Acid SCHEMBL584512 | 0.87 | CES2 (0.60) | CES2CES1PTPN1ERCC5FEN1 | |
| SCHEMBL6129939 | 0.87 | CES2 (0.60) | CES2CES1PTPN1ERCC5FEN1 | |
| Acetone SCHEMBL28575425 | 0.87 | CES2 (0.60) | CES2CES1PTPN1ERCC5FEN1 | |
| SCHEMBL25212901 | 0.87 | — | — | |
| SCHEMBL9580893 | 0.87 | CES2 (0.65) | CES2CES1PTPN1ERCC5FEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109794296-A | A kind of mixed acid solid-carried catalyst and the application in catalysis n-butanal or the reaction of isobutylaldehyde cyclic trimerization | 濮阳宏业高新科技发展有限公司 | 2019-05-24 | — | — | CN | claimed |