Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.79 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.62 |
| ▸ | PDPK1 | O15530 | 6/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Primary Alcohol Metabolite Of Celecoxib SCHEMBL6013984 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL9089381 | 0.88 | PTGS2 (0.79) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL14747801 | 0.83 | PTGS1 (0.74) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL27531784 | 0.80 | PTGS2 (0.75) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL8953880 | 0.78 | PTGS2 (0.81) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL27446304 | 0.78 | PTGS2 (0.81) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL16426376 | 0.78 | PTGS2 (0.76) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6342351 | 0.77 | PTGS2 (0.90) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL3288788 | 0.77 | PTGS2 (0.80) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL5672987 | 0.77 | PTGS2 (1.00) | PTGS2PTGS1PDPK1CYP2C9 |
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-6716991-B1 | REACTING ETHYL DIFLUOROACETATE AND 4'-CHLOROACETOPHENONE PRODUCING 4,4-DIFLUORO-1-(4-(CHLORO)PHENYL)-BUTANE-1,3-DIONE AND REACTING WITH 4-SULPHONAMIDOPHENYL HYDRAZINE HYDROCHLORIDE | G. D. SEARLE & CO. | 2004-04-06 | — | — | US | disclosed |