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 | |
|---|---|---|---|---|
| SCHEMBL841758 | 0.94 | — | — | |
| SCHEMBL30507 | 0.94 | — | — | |
| SCHEMBL149311 | 0.94 | — | — | |
| SCHEMBL8006466 | 0.94 | — | — | |
| SCHEMBL3577 | 0.94 | — | — | |
| SCHEMBL15122505 | 0.88 | — | — | |
| SCHEMBL9422162 | 0.88 | — | — | |
| SCHEMBL914234 | 0.88 | — | — | |
| Water SCHEMBL1879987 | 0.88 | — | — | |
| Lithium Ion SCHEMBL973712 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012051341-A1 | HYDROTHERMAL PROCESS FOR ENHANCED STABILITY OF MESOPOROUS NANOPARTICLES | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2012-04-19 | — | — | WO | disclosed |