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 | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | CES1 | P23141 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL27338258 | 0.88 | ALDH1A1 (0.43) | MAOBALDH1A1P2RX4MAPTSMN1; SMN2 | |
| Alcohol SCHEMBL6796022 | 0.85 | ALDH1A1 (0.45) | MAOBALDH1A1P2RX4MAPTSMN1; SMN2 | |
| Propanol SCHEMBL27491834 | 0.79 | ALDH1A1 (0.41) | MAOBALDH1A1P2RX4CES2CES1 | |
| Ethylene Glycol SCHEMBL27788966 | 0.77 | MAOB (0.41) | MAOBALDH1A1MAPTSMN1; SMN2APAF1 | |
| Methyl Alcohol SCHEMBL28064720 | 0.76 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2APAF1TDP2 | |
| Butyl Alcohol SCHEMBL27650718 | 0.74 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2KDM4ETDP1L3MBTL1 | |
| Methyl Alcohol SCHEMBL3930228 | 0.73 | ALDH1A1 (0.42) | MAOBALDH1A1MAPTSMN1; SMN2APAF1 | |
| Water SCHEMBL592692 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2APAF1TDP2 | |
| Water SCHEMBL29662270 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2APAF1TDP2 | |
| Water SCHEMBL1512563 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2APAF1TDP2 |
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-106163509-A | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2016-11-23 | — | — | CN | disclosed |