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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.57 |
| ▸ | NAAA | Q02083 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
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 SCHEMBL11212818 | 0.93 | EPHX1 (0.55) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL1695496 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL22540554 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL11098598 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL23018499 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL23506964 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL93396 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL19063411 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL200090 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 | |
| SCHEMBL5167284 | 0.93 | EPHX1 (0.52) | EPHX1NAAAHTTCYP2C19CA12 |
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-108003017-A | The production method and cyclohexanol production device of the separation method of cyclohexyl acetate and the production method of cyclohexyl acetate and cyclohexanol | 中国石油化工股份有限公司 | 2018-05-08 | — | — | CN | disclosed |