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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 2/20 | 0.33 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25411860 | 0.93 | ATM (0.37) | ACERENATMAGTR2 | |
| SCHEMBL27128389 | 0.93 | ATM (0.37) | ACERENATMAGTR2 | |
| SCHEMBL14849286 | 0.79 | ATM (0.48) | ACERENATMAGTR2 | |
| SCHEMBL31597599 | 0.75 | TSHR (0.46) | ACEATMAGTR2 | |
| SCHEMBL11475356 | 0.75 | ACE (0.44) | ACE | |
| SCHEMBL2041278 | 0.74 | CA1 (0.39) | HTR1ATACR1CA1CA2CA4 | |
| SCHEMBL19616870 | 0.74 | CA1 (0.39) | HTR1ATACR1CA1CA2CA4 | |
| SCHEMBL21813349 | 0.74 | CA1 (0.36) | HTR1ACA1CA2CA4CA9 | |
| SCHEMBL21813350 | 0.74 | CA1 (0.36) | HTR1ACA1CA2CA4CA9 | |
| SCHEMBL11453713 | 0.74 | HTR1A (0.32) | ACEHTR1ARENATM |
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-109843856-A | KRAS G12C inhibitor | 米拉蒂治疗股份有限公司 | 2019-06-04 | — | — | CN | disclosed |