Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698611 | 0.89 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL8639053 | 0.84 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Hydrogen Sulfide SCHEMBL27507738 | 0.83 | PTGS2 (0.70) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6718470 | 0.82 | PTGS2 (0.78) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL8325061 | 0.81 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL7876584 | 0.81 | PTGS2 (0.73) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL24645 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL8286969 | 0.80 | PTGS2 (0.71) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL29593653 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL6601340 | 0.79 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296971-A2 | 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | Pharmacia Corporation (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2001081332-A2 | 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2001-11-01 | — | — | WO | disclosed |