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 | |
|---|---|---|---|---|
| SCHEMBL4859997 | 1.00 | — | — | |
| Lithium Ion SCHEMBL4307118 | 0.82 | — | — | |
| SCHEMBL506090 | 0.82 | — | — | |
| SCHEMBL6009854 | 0.82 | — | — | |
| Water SCHEMBL5665361 | 0.82 | — | — | |
| Potassium Ion SCHEMBL4098374 | 0.82 | — | — | |
| SCHEMBL18301024 | 0.82 | — | — | |
| SCHEMBL25396888 | 0.71 | — | — | |
| SCHEMBL11142889 | 0.71 | — | — | |
| SCHEMBL8398525 | 0.71 | — | — |
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-2011105989-A2 | REVERSIBLE HYDRIDE THERMAL ENERGY STORAGE CELL OPTIMIZE FOR SOLAR APPLICATIONS | BLIESNER WAYNE THOMAS (US) | 2011-09-01 | — | — | WO | disclosed |