Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23077750 | 0.86 | TAAR1 (0.46) | HCAR2TAAR1TRPA1CYP2C19AOC3 | |
| SCHEMBL28980394 | 0.86 | KDM4E (0.42) | CYP2C19KDM4EMAPK1 | |
| SCHEMBL7239259 | 0.82 | HCAR2 (0.44) | HCAR2CYP2C19KDM4EMAPK1RAB9A | |
| SCHEMBL3144362 | 0.82 | HCAR2 (0.44) | HCAR2CYP2C19KDM4EMAPK1RAB9A | |
| SCHEMBL7238650 | 0.82 | HCAR2 (0.44) | HCAR2CYP2C19KDM4EMAPK1RAB9A | |
| SCHEMBL22946959 | 0.82 | AOC3 (0.46) | TAAR1TRPA1CYP2C19AOC3RAB9A | |
| SCHEMBL17460171 | 0.81 | GABBR2 (0.44) | HCAR2CYP2C19KDM4EMAPK1 | |
| SCHEMBL9380747 | 0.79 | HCAR2 (0.42) | HCAR2TAAR1CYP2C19KDM4ERAB9A | |
| SCHEMBL5744606 | 0.78 | HCAR2 (0.45) | HCAR2CYP2C19 | |
| SCHEMBL17730949 | 0.78 | CYP2C19 (0.62) | HCAR2CYP2C19KDM4EMAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730590-B1 | ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | DU PONT PHARM CO (US) | 2001-01-17 | — | — | EP | disclosed |
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970950-A2 | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DuPont Pharmaceuticals Company (US) | 2000-01-12 | — | — | EP | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| EP-0730590-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | disclosed |