Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 5/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8175648 | 0.92 | PTGS2 (0.47) | PTGS2PTGS1 | |
| SCHEMBL7773198 | 0.92 | PTGS2 (0.51) | PTGS2PI4KBPTGS1 | |
| SCHEMBL8175566 | 0.89 | PTGS2 (0.49) | PTGS2PI4KBPTGS1 | |
| SCHEMBL7779889 | 0.88 | PTGS2 (0.46) | PTGS2PI4KBPTGS1 | |
| SCHEMBL7773317 | 0.86 | PTGS2 (0.54) | PTGS2PI4KBPTGS1 | |
| SCHEMBL8179902 | 0.86 | PTGS2 (0.46) | PTGS2PI4KBPTGS1 | |
| SCHEMBL7772890 | 0.85 | PTGS2 (0.52) | PTGS2PI4KBPTGS1 | |
| SCHEMBL8174991 | 0.85 | PI4KB (0.47) | PTGS2PI4KBPTGS1 | |
| SCHEMBL8175792 | 0.84 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL7773218 | 0.84 | PTGS2 (0.48) | PTGS2PTGS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6028072-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |