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 | |
|---|---|---|---|---|
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.54 |
| ▸ | ALPI | P09923 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | XIAP | P98170 | 1/20 | 0.56 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.56 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.49 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.45 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27531497 | 0.97 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL839857 | 0.97 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL27531496 | 0.97 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL216055 | 0.97 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Hydrochloric Acid SCHEMBL1098660 | 0.97 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 | |
| Acetic Acid SCHEMBL28580203 | 0.95 | ALPI (0.58) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL132790 | 0.95 | ALPI (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL616963 | 0.95 | ALPI (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL132409 | 0.95 | ALPI (0.61) | ALPIPKMPTGS1XIAPSLC7A5 | |
| SCHEMBL7864444 | 0.93 | ALPI (0.59) | ALPIPKMPTGS1XIAPSLC7A5 |
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-109847455-A | A kind of composite material, preparation method and application for filtering fine particulates | 四川大学 | 2019-06-07 | — | — | CN | disclosed |