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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL31357154 | 0.89 | — | — | |
| SCHEMBL4619019 | 0.87 | — | — | |
| SCHEMBL29420515 | 0.87 | — | — | |
| SCHEMBL404240 | 0.87 | — | — | |
| SCHEMBL29440593 | 0.87 | — | — | |
| SCHEMBL28217064 | 0.87 | — | — | |
| SCHEMBL8975095 | 0.87 | — | — | |
| SCHEMBL407706 | 0.87 | — | — | |
| SCHEMBL7027076 | 0.75 | — | — | |
| SCHEMBL4250072 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3917668-A4 | METAL-DECORATED BARIUM CALCIUM ALUMINUM OXIDE CATALYST FOR NH3 SYNTHESIS AND CRACKING AND METHODS OF FORMING THE SAME | Starfire Energy (US) | 2022-11-23 | — | — | EP | disclosed |