Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexanethiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.54 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.54 |
| ▸ | FDPS | P14324 | 12/20 | 0.48 |
| ▸ | GGPS1 | O95749 | 6/20 | 0.48 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL27610207 | 1.00 | LPAR3 (0.54) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Phosphoric Acid SCHEMBL27523489 | 1.00 | LPAR3 (0.54) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Phosphoric Acid SCHEMBL5828967 | 1.00 | LPAR3 (0.54) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Phosphoric Acid SCHEMBL4528458 | 0.97 | LPAR3 (0.50) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Phosphoric Acid SCHEMBL4528451 | 0.97 | LPAR3 (0.50) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| Phosphoric Acid SCHEMBL5829436 | 0.89 | GABBR2 (0.46) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| SCHEMBL3371221 | 0.87 | LPAR3 (0.46) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| SCHEMBL3875770 | 0.87 | LPAR3 (0.46) | LPAR3LPAR2FDPSGGPS1LPAR1 | |
| SCHEMBL18170374 | 0.86 | LPAR3 (0.78) | LPAR3LPAR2FDPS | |
| Octane SCHEMBL9461155 | 0.86 | LPAR3 (0.68) | LPAR3LPAR2FDPSGGPS1LPAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7056977-B2 | Polyvinyl acetal and its use | KURARAY CO., LTD. (JP) | 2006-06-06 | — | — | US | disclosed |
| CN-1245426-C | Venyl acetal polymer and its application | KURARAY CO (JP) | 2006-03-15 | — | — | CN | disclosed |
| EP-1384730-B1 | Polyvinyl acetal and its use | KURARAY CO (JP) | 2005-11-30 | — | — | EP | disclosed |
| US-20040122167-A1 | Polyvinyl acetal and its use | KURARAY CO. LTD (JP) | 2004-06-24 | — | — | US | disclosed |
| CN-1477132-A | Venyl acetal polymer and its application | �����ɷ� | 2004-02-25 | — | — | CN | disclosed |
| EP-1384730-A1 | Polyvinyl acetal and its use | KURARAY CO., LTD. (JP) | 2004-01-28 | — | — | EP | disclosed |