Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.44 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.42 |
| ▸ | TRAP1 | Q12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL8634946 | 0.92 | PTGS2 (0.76) | PTGS2ALDH1A1HSP90AA1TRPM2PTGS1 | |
| SCHEMBL8631373 | 0.92 | PTGS2 (0.63) | PTGS2TRPM2PTGS1 | |
| SCHEMBL7773259 | 0.90 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL7772900 | 0.88 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL8633307 | 0.88 | PTGS2 (0.80) | PTGS2ALDH1A1HSP90AA1TRPM2PTGS1 | |
| SCHEMBL8632651 | 0.87 | PTGS2 (0.82) | PTGS2ALDH1A1HSP90AA1TRPM2PTGS1 | |
| SCHEMBL8633269 | 0.86 | PTGS2 (0.87) | PTGS2ALDH1A1HSP90AA1TRPM2PTGS1 | |
| SCHEMBL8288067 | 0.85 | PTGS2 (1.00) | PTGS2ALDH1A1HSP90AA1TRPM2PTGS1 | |
| SCHEMBL8632520 | 0.85 | PTGS2 (0.85) | PTGS2ALDH1A1HSP90AA1TRPM2PTGS1 | |
| SCHEMBL8627937 | 0.84 | PTGS2 (0.64) | PTGS2ALDH1A1TRPM2PTGS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |