Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.74 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27602808 | 0.86 | PTGS1 (0.74) | PTGS1PTGS2CYP2C9PDPK1 | |
| SCHEMBL27339504 | 0.86 | PTGS1 (0.68) | PTGS1PTGS2CYP2C9PDPK1MAPT | |
| SCHEMBL6451398 | 0.85 | PTGS1 (1.00) | PTGS1PTGS2PDPK1MAPTTP53 | |
| SCHEMBL6097735 | 0.84 | PTGS1 (0.70) | PTGS1PTGS2CYP2C9PDPK1 | |
| SCHEMBL27602805 | 0.83 | PTGS1 (0.82) | PTGS1PTGS2PDPK1MAPTTP53 | |
| SCHEMBL9089381 | 0.83 | PTGS2 (0.79) | PTGS1PTGS2CYP2C9PDPK1 | |
| Primary Alcohol Metabolite Of Celecoxib SCHEMBL6013984 | 0.83 | PTGS2 (1.00) | PTGS1PTGS2CYP2C9PDPK1 | |
| SCHEMBL6757697 | 0.83 | PTGS2 (0.79) | PTGS1PTGS2CYP2C9PDPK1 | |
| Carbamic Acid SCHEMBL5860891 | 0.83 | PTGS2 (0.69) | PTGS1PTGS2CYP2C9PDPK1MAPT | |
| SCHEMBL5344449 | 0.82 | PTGS1 (0.80) | PTGS1PTGS2CYP2C9PDPK1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE44048-E1 | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-YL]benzenesulfonamide for the treatment of inflammation or an inflammation-associated disorder | G.D. SEARLE LLC (US) | 2013-03-05 | — | — | US | disclosed |