Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9040666 | 0.87 | PTGS2 (0.57) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL8423922 | 0.87 | MELK (0.59) | PTGS2PTGS1CA12CA9 | |
| SCHEMBL9047084 | 0.87 | PTGS2 (0.55) | PTGS2PTGS1CA12CA9 | |
| SCHEMBL9048124 | 0.87 | PTGS2 (0.65) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL9047072 | 0.87 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL9046017 | 0.85 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL9038989 | 0.85 | PTGS2 (0.67) | PTGS2PTGS1CA1CA2CA5A | |
| SCHEMBL9038455 | 0.83 | PTGS2 (0.50) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL9047083 | 0.83 | PTGS2 (0.57) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL13801011 | 0.78 | HTT (0.50) | PTGS2PTGS1CYP2C9HTT |
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-0731796-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015318-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |