Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 12/20 | 0.54 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | MINK1 | Q8N4C8 | 2/20 | 0.45 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9048815 | 0.87 | PTGS2 (0.64) | PTGS2PTGS1CA12CA9 | |
| SCHEMBL9047084 | 0.86 | PTGS2 (0.55) | MELKPTGS2PTGS1CA12CA9 | |
| SCHEMBL9040666 | 0.86 | PTGS2 (0.57) | MELKPTGS2PTGS1 | |
| SCHEMBL9048124 | 0.86 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL9047072 | 0.86 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL9038989 | 0.83 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL9046017 | 0.83 | PTGS2 (0.51) | MELKPTGS2PTGS1 | |
| SCHEMBL9038455 | 0.82 | PTGS2 (0.50) | MELKPTGS2PTGS1CA12CA9 | |
| SCHEMBL9047083 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1CA12CA9 | |
| SCHEMBL5215929 | 0.78 | PTGS2 (0.82) | 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-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | disclosed |
| 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 |