Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.63 |
| ▸ | EPHX2 | P34913 | 10/20 | 0.63 |
| ▸ | CA9 | Q16790 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6341958 | 0.86 | PTGS2 (0.67) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL6350558 | 0.85 | PTGS2 (0.66) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL6344713 | 0.85 | PTGS2 (0.63) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL6757662 | 0.83 | CA9 (0.66) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL8688440 | 0.81 | PTGS2 (0.61) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL6353808 | 0.81 | PTGS2 (0.70) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL9941537 | 0.80 | CA9 (0.71) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL27517773 | 0.79 | PTGS2 (0.64) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL8688495 | 0.79 | PTGS2 (0.57) | PTGS2PTGS1EPHX2CA9CA1 | |
| SCHEMBL5236666 | 0.77 | RPA1 (0.72) | PTGS2PTGS1EPHX2CA9CA1 |
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 |