Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.82 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.65 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | CA3 | P07451 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9002988 | 0.93 | PTGS2 (0.79) | PTGS2PTGS1CYP2C9ALOX5PDPK1 | |
| SCHEMBL8636647 | 0.90 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9ALOX5PDPK1 | |
| SCHEMBL8953873 | 0.90 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9ALOX5PDPK1 | |
| SCHEMBL9003046 | 0.89 | PTGS2 (0.82) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8637878 | 0.88 | PTGS2 (0.65) | PTGS2PTGS1CYP2C9PDPK1CYP3A4 | |
| SCHEMBL9003244 | 0.88 | PTGS2 (0.65) | PTGS2PTGS1CYP2C9ALOX5PDPK1 | |
| SCHEMBL9002935 | 0.88 | PTGS2 (0.82) | PTGS2PTGS1CYP2C9ALOX5PDPK1 | |
| SCHEMBL9257388 | 0.88 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9ALOX5PDPK1 | |
| SCHEMBL8953925 | 0.82 | PTGS2 (0.78) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL9002595 | 0.82 | PTGS2 (0.78) | PTGS2PTGS1CYP2C9 |
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-0731793-A1 | 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | claimed |
| WO-1995015315-A1 | 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | claimed |
| EP-0830133-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | Takeda Chemical Industries, Ltd. (JP) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996033717-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |
| EP-0731793-A1 | 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | disclosed |
| US-5475018-A | Antiinflammatory agent, antiarthritic agent; analgesics and antipyretics | G. D. SEARLE & CO. (US) | 1995-12-12 | — | — | US | disclosed |
| WO-1995015315-A1 | 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |