Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7780022 | 0.89 | MAP2K7 (0.50) | PTGS2TDO2PTGS1 | |
| SCHEMBL7780887 | 0.85 | PTGS2 (0.54) | PTGS2TDO2PTGS1 | |
| SCHEMBL6251030 | 0.82 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL7779833 | 0.82 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL7779582 | 0.82 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL7780844 | 0.79 | PTGS2 (0.50) | PTGS2TDO2PTGS1 | |
| SCHEMBL7778228 | 0.78 | PTGS2 (0.48) | PTGS2 | |
| SCHEMBL7773157 | 0.78 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL7777563 | 0.78 | MAPT (0.49) | PTGS2PTGS1 | |
| SCHEMBL7780772 | 0.77 | PTGS2 (0.51) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772597-B1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1127878-A1 | 3,4 - substituted pyrazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-29 | — | — | EP | disclosed |
| 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-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |