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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.44 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL56856 | 0.93 | EPHX1 (0.53) | BTKEPHX1CTSKGNAI3GNAO1 | |
| Water SCHEMBL27795194 | 0.92 | EPHX1 (0.52) | BTKEPHX1CTSKGNAI3GNAO1 | |
| Hydrochloric Acid SCHEMBL4158527 | 0.92 | EPHX1 (0.52) | BTKEPHX1CTSKGNAI3GNAO1 | |
| Ammonia Solution, Strong SCHEMBL15021680 | 0.92 | EPHX1 (0.52) | BTKEPHX1CTSKGNAI3GNAO1 | |
| SCHEMBL14209088 | 0.87 | BTK (0.55) | BTKEPHX1CTSKGAAPOLB | |
| SCHEMBL555051 | 0.87 | BTK (0.55) | BTKEPHX1CTSKGAAPOLB | |
| Formic Acid SCHEMBL7216484 | 0.87 | BTK (0.48) | BTKEPHX1CTSKGNAI3GNAO1 | |
| Acetic Acid Methyl Ester SCHEMBL8483324 | 0.87 | BTK (0.48) | BTKEPHX1CTSKGNAI3GNAO1 | |
| SCHEMBL14209134 | 0.87 | BTK (0.55) | BTKEPHX1CTSKGAAPOLB | |
| Methyl Carbamate SCHEMBL28171804 | 0.86 | BTK (0.47) | BTKEPHX1CTSKGNAI3GNAO1 |
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-103619816-B | Gas trapping method | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2016-05-18 | — | — | CN | disclosed |