Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6930665 | 0.85 | PTGS2 (0.36) | PTGS2PTGS1 | |
| SCHEMBL9119298 | 0.84 | PTGS2 (0.38) | PTGS2PTGS1 | |
| SCHEMBL5030910 | 0.84 | PTGS2 (0.40) | PTGS2PTGS1 | |
| SCHEMBL9118988 | 0.83 | PTGS2 (0.45) | PTGS2PTGS1 | |
| SCHEMBL9117197 | 0.83 | PLCG1 (0.37) | PTGS2 | |
| SCHEMBL7505306 | 0.83 | PTGS2 (0.45) | PTGS2PTGS1 | |
| SCHEMBL9119397 | 0.80 | EGFR (0.38) | PTGS2PTGS1NR3C1 | |
| SCHEMBL9118873 | 0.80 | PTGS2 (0.42) | PTGS2PTGS1 | |
| SCHEMBL9116829 | 0.79 | PTGS2 (0.43) | PTGS2 | |
| SCHEMBL3822120 | 0.77 | NPC1 (0.36) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | claimed |
| EP-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |