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 | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.45 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL162083 | 0.87 | TAAR1 (0.62) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL11073018 | 0.84 | TAAR1 (0.60) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL8104290 | 0.84 | TAAR1 (0.60) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL7404185 | 0.82 | TAAR1 (0.64) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL244155 | 0.79 | — | — | |
| SCHEMBL29353084 | 0.79 | TAAR1 (0.50) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL28323221 | 0.77 | TAAR1 (0.62) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL394300 | 0.77 | TAAR1 (0.76) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL5386093 | 0.76 | TAAR1 (0.56) | TAAR1KEAP1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL120565 | 0.75 | TAAR1 (0.66) | TAAR1KEAP1KDM4EALDH1A1POLB |
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-107722068-A | Three tooth aminophosphine ligands and its complex and its application in the asymmetric catalytic hydrogenation of ketone | 凯特立斯（深圳）科技有限公司 | 2018-02-23 | — | — | CN | disclosed |