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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17072023 | 0.95 | TRPA1 (0.45) | TRPA1TSHRTDP1ALDH1A1PTGS1 | |
| SCHEMBL20721697 | 0.95 | TRPA1 (0.45) | TRPA1TSHRTDP1ALDH1A1PTGS1 | |
| SCHEMBL19645 | 0.95 | TRPA1 (0.45) | TRPA1TSHRTDP1ALDH1A1PTGS1 | |
| SCHEMBL10818718 | 0.92 | TRPA1 (0.43) | TRPA1TSHRTDP1ALDH1A1PTGS1 | |
| Ethylene Glycol SCHEMBL2832859 | 0.90 | TRPA1 (0.42) | TRPA1TSHRTDP1ALDH1A1PTGS1 | |
| Ethylene Glycol SCHEMBL28152293 | 0.90 | TRPA1 (0.42) | TRPA1TSHRTDP1ALDH1A1PTGS1 | |
| Isobutanol SCHEMBL6152369 | 0.87 | TSHR (0.45) | TRPA1TSHRTDP1PTGS1KCNH2 | |
| SCHEMBL28284514 | 0.87 | TRPA1 (0.41) | TRPA1TSHRTDP1PTGS1KCNH2 | |
| Benzene SCHEMBL28172129 | 0.87 | TRPA1 (0.55) | TRPA1TSHRTDP1PTGS1KCNH2 | |
| SCHEMBL6528230 | 0.86 | TRPA1 (0.37) | TRPA1TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0897416-B1 | REFRIGERATION OILS COMPRISING ESTERS OF HINDERED ALCOHOLS | EXXONMOBIL OIL CORP (US) | 2004-05-06 | — | — | EP | claimed |
| EP-0408635-B1 | TRANSESTERIFICATION OF ALKOXYESTERS | EASTMAN KODAK CO (US) | 1994-02-23 | — | — | EP | claimed |