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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.74 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.54 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.44 |
| ▸ | HTR1A | P08908 | 5/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
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 SCHEMBL6449088 | 0.89 | TSHR (0.77) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| Butane SCHEMBL28757049 | 0.89 | TSHR (0.77) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| Methyl Alcohol SCHEMBL8766879 | 0.89 | TSHR (0.85) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| Hydrogen Peroxide SCHEMBL28927927 | 0.89 | TSHR (0.94) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| Ethane SCHEMBL28306955 | 0.86 | TSHR (0.90) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL987488 | 0.86 | — | — | |
| SCHEMBL1943997 | 0.86 | — | — | |
| SCHEMBL28467238 | 0.86 | TSHR (1.00) | TSHRCHRM2CHRM3CHRM4CHRM1 | |
| SCHEMBL21026 | 0.86 | — | — | |
| Water SCHEMBL4779098 | 0.84 | TSHR (0.94) | TSHRCHRM2CHRM3CHRM4CHRM1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104190436-B | The preparation method of a kind of catalyst, the method catalyst prepared and apply the method that this catalyst prepares bata-phenethyl alcohol | 万华化学集团股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| EP-0454463-B1 | Process for producing epoxyalcohols of high optical purity | ARCO CHEM TECH (US) | 1997-08-13 | — | — | EP | disclosed |
| EP-0422897-B1 | Recovery of water-insoluble epoxy alcohols | ARCO CHEM TECH (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5278070-A | Process for producing epoxyalcohols of high optical purity | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0454463-A2 | Process for producing epoxyalcohols of high optical purity | ARCO Chemical Technology, L.P. (US) | 1991-10-30 | — | — | EP | disclosed |
| EP-0422897-A2 | Recovery of water-insoluble epoxy alcohols | ARCO Chemical Technology, L.P. (US) | 1991-04-17 | — | — | EP | disclosed |
| US-4935101-A | Process for the recovery of a water-insoluble epoxy alcohol | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1990-06-19 | — | — | US | disclosed |