Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5693273 | 0.85 | ALOX5 (0.55) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL4017911 | 0.83 | PTGS2 (0.43) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL4025348 | 0.82 | HDAC3 (0.47) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL4023920 | 0.80 | PTGS1 (0.50) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL4019847 | 0.80 | PTGS1 (0.40) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL5693528 | 0.80 | PTGS2 (0.61) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL4021173 | 0.79 | PTGS1 (0.45) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL4021614 | 0.77 | PTGS1 (0.44) | PTGS2PTGS1 | |
| SCHEMBL8765387 | 0.76 | PTGS2 (0.90) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL8953888 | 0.75 | PTGS2 (1.00) | PTGS2CYP2C9PTGS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1384477-B1 | UTILIZATION OF PYRAZOLINE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND/OR TREATMENT OF PROLIFERATIVE CELL DISEASES | ESTEVE LABOR DR (ES) | 2006-05-24 | — | — | EP | claimed |
| US-RE38963-E1 | Pyrazoline derivatives, their preparation and application as medicaments | LABORATORIOS DEL DR. ESTEVE (ES) | 2006-01-31 | — | — | US | claimed |
| EP-1083171-B1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-04-28 | — | — | EP | claimed |
| US-6353117-B1 | ANTIINFLAMMATORY ACTIVITY AND DISEASES IN WHICH CYCLOOXYGENASE-2 PLAYS A PART, WITHOUT HAVING THE GASTRIC AND RENAL TOXICITY OF THE CLASSIC NONSTEROIDAL ANTIINFLAMMATORY AGENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2002-03-05 | — | — | US | claimed |
| EP-1083171-A1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2001-03-14 | — | — | EP | claimed |