Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 6/20 | 0.53 |
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14747803 | 0.91 | PTGS2 (0.56) | PTGS2PTGS1ABCB11ALDH1A1CA9 | |
| SCHEMBL6352647 | 0.82 | PTGS2 (0.80) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL14747589 | 0.82 | PTGS2 (0.70) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL27499931 | 0.82 | PTGS2 (0.76) | PTGS2PTGS1ABCB11ALDH1A1CA9 | |
| Deracoxib SCHEMBL29593653 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL24645 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL27565816 | 0.81 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL7789562 | 0.81 | PTGS2 (0.78) | PTGS2PTGS1ABCB11ALDH1A1CA9 | |
| Deracoxib SCHEMBL6601340 | 0.80 | PTGS2 (0.98) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL28723602 | 0.80 | PTGS2 (0.98) | PTGS2PTGS1ABCB11ALDH1A1 |
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 |