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 | |
|---|---|---|---|---|
| SCHEMBL23539383 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27951711 | 0.90 | ALDH1A1 (0.33) | — | |
| SCHEMBL7696308 | 0.90 | — | — | |
| SCHEMBL3559098 | 0.90 | — | — | |
| Water SCHEMBL7929515 | 0.90 | ALDH1A1 (0.33) | — | |
| SCHEMBL1736341 | 0.89 | ALDH1A1 (0.40) | — | |
| SCHEMBL124190 | 0.89 | — | — | |
| SCHEMBL30 | 0.89 | — | — | |
| SCHEMBL742858 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL5047658 | 0.84 | ALDH1A1 (0.36) | — |
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-5126370-A | Anti-thrombotic heterocyclic amido prostaglandin analogs | E. R. SQUIBB & SONS, INC. (US) | 1992-06-30 | — | — | US | disclosed |