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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.52 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.52 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.52 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.52 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | ELANE | P08246 | 1/20 | 0.52 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | FPR1 | P21462 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Propanol SCHEMBL8778814 | 0.91 | CA1 (0.48) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL88641 | 0.88 | CA2 (0.64) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL776398 | 0.86 | CA1 (0.56) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL28332352 | 0.85 | CA2 (0.61) | PRSS1PRSS2PRSS3CA1CA2 | |
| Hydrochloric Acid SCHEMBL11574583 | 0.85 | CA2 (0.61) | PRSS1PRSS2PRSS3CA1CA2 | |
| Phenylmethanesulfonic Acid SCHEMBL27960970 | 0.84 | PRSS1 (0.50) | PRSS1PRSS2PRSS3CA1CA2 | |
| Ether SCHEMBL7193530 | 0.83 | CA1 (0.48) | PRSS1PRSS2PRSS3CA1CA2 | |
| Phenylmethylsulfonylfluoride SCHEMBL7987561 | 0.83 | PRSS1 (0.79) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL10482000 | 0.80 | CA1 (0.50) | PRSS1PRSS2PRSS3CA1CA2 | |
| SCHEMBL8778790 | 0.80 | CA1 (0.50) | PRSS1PRSS2PRSS3CA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | claimed |
| EP-0602914-B1 | Ink compositions for ink jet printing | XEROX CORP (US) | 1997-11-12 | — | — | EP | disclosed |
| EP-0602914-A1 | Ink compositions for ink jet printing | XEROX CORPORATION (US) | 1994-06-22 | — | — | EP | disclosed |
| US-5300143-A | Water soluble dye, sulfone, and amide or cyclic amine | XEROX CORPORATION (US) | 1994-04-05 | — | — | US | disclosed |