Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| SCHEMBL30140946 | 1.00 | — | — | |
| SCHEMBL5692219 | 1.00 | — | — | |
| SCHEMBL30133603 | 0.94 | — | — | |
| SCHEMBL9099044 | 0.94 | — | — | |
| SCHEMBL28231231 | 0.94 | — | — | |
| SCHEMBL9188835 | 0.94 | — | — | |
| SCHEMBL3277984 | 0.94 | — | — | |
| SCHEMBL11407507 | 0.94 | — | — | |
| SCHEMBL31228961 | 0.94 | — | — | |
| Water SCHEMBL27988858 | 0.94 | — | — |
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-3294259-A1 | ORAL CARE COMPOSITION | Unilever N.V. (NL) | 2018-03-21 | — | — | EP | disclosed |
| WO-2016180601-A1 | ORAL CARE COMPOSITION | UNILEVER N.V. (NL) | 2016-11-17 | — | — | WO | disclosed |