Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9118717 | 0.98 | PTGS2 (0.49) | PTGS2PTGS1GSK3B | |
| SCHEMBL9117949 | 0.95 | PTGS2 (0.54) | PTGS2PTGS1GSK3B | |
| SCHEMBL9117673 | 0.93 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL9118585 | 0.91 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL9242947 | 0.89 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL9117188 | 0.88 | PTGS2 (0.66) | PTGS2PTGS1 | |
| SCHEMBL9117988 | 0.88 | PTGS2 (0.43) | PTGS2PTGS1 | |
| SCHEMBL9118085 | 0.88 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL9117198 | 0.88 | PTGS2 (0.58) | PTGS2PTGS1 | |
| SCHEMBL9117225 | 0.87 | PTGS2 (0.50) | 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 |
|---|---|---|---|---|---|---|---|
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | claimed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |