Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8648079 | 0.87 | PPARD (0.38) | CYP11B2MAPTKMT2AFASNCYP17A1 | |
| SCHEMBL7376419 | 0.78 | ALDH1A1 (0.39) | PKMMIFALDH1A1MAPK1GAA | |
| SCHEMBL7848117 | 0.77 | USP30 (0.39) | FASN | |
| SCHEMBL7375293 | 0.72 | SLC6A3 (0.36) | CYP2C9MIFFASNKCNH2 | |
| SCHEMBL7375162 | 0.70 | MIF (0.58) | MIF | |
| SCHEMBL22907553 | 0.69 | MIF (0.48) | MIFALDH1A1SMN1; SMN2 | |
| SCHEMBL7372714 | 0.67 | KCNH2 (0.37) | ALDH1A1L3MBTL1HTTKCNH2 | |
| SCHEMBL7372082 | 0.67 | KCNH2 (0.37) | ALDH1A1L3MBTL1HTTKCNH2 | |
| SCHEMBL7369181 | 0.67 | KCNH2 (0.37) | ALDH1A1L3MBTL1HTTKCNH2 | |
| SCHEMBL6995733 | 0.67 | KCNH2 (0.37) | ALDH1A1L3MBTL1HTTKCNH2 |
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 7 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 |
| WO-1996038426-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-05 | — | — | WO | 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 |