Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.60 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4020015 | 0.89 | PTGS2 (0.63) | PTGS2CYP2C9PTGS1PTGESHDAC3 | |
| SCHEMBL4023943 | 0.83 | PTGS2 (0.43) | PTGS2CYP2C9PTGS1HDAC3HDAC4 | |
| SCHEMBL4020138 | 0.81 | HDAC3 (0.46) | PTGS2PTGS1HDAC3PDPK1HDAC4 | |
| SCHEMBL4196773 | 0.80 | PTGS1 (0.48) | PTGS2CYP2C9PTGS1PTGESHDAC3 | |
| SCHEMBL4026611 | 0.80 | HDAC3 (0.42) | PTGS2CYP2C9PTGS1HDAC3PDPK1 | |
| SCHEMBL4025699 | 0.80 | HDAC3 (0.47) | PTGS2CYP2C9PTGS1HDAC3PDPK1 | |
| SCHEMBL4185306 | 0.80 | PTGS2 (0.40) | PTGS2CYP2C9PTGS1HDAC3HDAC4 | |
| SCHEMBL5693249 | 0.80 | PTGS2 (0.60) | PTGS2CYP2C9PTGS1 | |
| SCHEMBL4021465 | 0.79 | PTGS2 (0.47) | PTGS2CYP2C9PTGS1HDAC3PDPK1 | |
| SCHEMBL4020107 | 0.79 | MAPT (0.48) | PTGS2CYP2C9PTGS1HDAC3PDPK1 |
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 |