Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.79 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1687503 | 1.00 | PTGS2 (0.79) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8770634 | 0.91 | PTGS2 (0.68) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL8646859 | 0.91 | PTGS2 (0.68) | PTGS2CA12CA1CA2CA9 | |
| SCHEMBL10300269 | 0.89 | PTGS2 (0.62) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL7677302 | 0.89 | PTGS2 (0.62) | PTGS2CA12CA2CA9PTGS1 | |
| SCHEMBL5502727 | 0.89 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL1676176 | 0.88 | PTGS2 (0.63) | PTGS2PTGS1 | |
| Hydrogen Sulfide SCHEMBL27744400 | 0.87 | PTGS2 (0.96) | PTGS2PTGS1 | |
| Cyclohexene SCHEMBL3252500 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL7566329 | 0.85 | PTGS2 (0.66) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0794942-A1 | SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-09-17 | — | — | EP | claimed |
| WO-1996016934-A1 | SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-06-06 | — | — | WO | claimed |