Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9012951 | 0.87 | PTGS2 (0.42) | PTGS2PTGS1ALOX5APFEN1 | |
| SCHEMBL6401586 | 0.87 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL9012907 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL6044343 | 0.83 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL16719622 | 0.82 | PTGS2 (0.40) | PTGS2PTGS1ACLY | |
| SCHEMBL7848186 | 0.81 | PTGS2 (0.35) | PTGS2PTGS1ALOX5APFEN1ACLY | |
| SCHEMBL9012677 | 0.80 | PTGS2 (0.40) | PTGS2PTGS1 | |
| SCHEMBL5790937 | 0.80 | KDM4E (0.44) | PTGS2PTGS1KIF11 | |
| SCHEMBL9012652 | 0.79 | PIK3CD (0.31) | — | |
| SCHEMBL9118051 | 0.78 | PTGS2 (0.37) | 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-1660500-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005014598-A1 | SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER | LABORATORIOS S.A.L.V.A.T., S.A. (ES) | 2005-02-17 | — | — | WO | disclosed |
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |