Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 16/20 | 1.00 |
| ▸ | CA1 | P00915 | 15/20 | 1.00 |
| ▸ | CA2 | P00918 | 15/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL6344401 | 0.88 | CA9 (1.00) | CA9CA1CA2PTGS2 | |
| SCHEMBL8689242 | 0.87 | CA1 (0.85) | CA9CA1CA2PTGS2 | |
| SCHEMBL13239860 | 0.81 | CA1 (0.70) | CA9CA1CA2PTGS2 | |
| SCHEMBL8033564 | 0.81 | PTGS2 (0.73) | CA9CA1CA2PTGS2 | |
| SCHEMBL14732172 | 0.79 | CA9 (0.68) | CA9CA1CA2PTGS2 | |
| Sulfamide SCHEMBL7182772 | 0.79 | PTGS2 (0.76) | CA9CA1CA2PTGS2 | |
| SCHEMBL3864236 | 0.78 | PTGS2 (0.90) | CA9CA1CA2PTGS2 | |
| SCHEMBL6406740 | 0.78 | CA9 (0.66) | CA9CA1CA2PTGS2 | |
| SCHEMBL9941289 | 0.78 | PTGS2 (1.00) | CA9CA1CA2PTGS2 | |
| SCHEMBL7796498 | 0.77 | CA9 (0.80) | CA9CA1CA2PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5760068-A | NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G.D. SEARLE & CO. (US) | 1998-06-02 | — | — | US | disclosed |
| US-5756529-A | ANTIINFLAMMATORY | G.D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |