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.
Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL10875255 | 0.95 | CA2 (0.35) | CA2CA4 | |
| SCHEMBL11276387 | 0.95 | CA2 (0.35) | CA2CA4 | |
| SCHEMBL11270897 | 0.95 | CA2 (0.35) | CA2CA4 | |
| SCHEMBL1707413 | 0.72 | — | — | |
| SCHEMBL27449772 | 0.72 | CA4 (0.33) | CA4 | |
| SCHEMBL11204495 | 0.72 | — | — | |
| SCHEMBL11153277 | 0.72 | — | — | |
| SCHEMBL27401445 | 0.70 | — | — | |
| SCHEMBL10408945 | 0.67 | CA4 (0.41) | CA2CA4 | |
| Dalapon SCHEMBL29512495 | 0.67 | CA4 (0.41) | CA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4313850-A | METAL BIS(HALOCARBOXYLATE), OXYGENATED ORGANOTITANIUM, VANDIUM OR ZIRCONIUM COMPOUND AND AN ORGANOALUMIUM COMPOUND | STANDARD OIL COMPANY (INDIANA) (US) | 1982-02-02 | — | — | US | disclosed |