Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.51 |
| ▸ | KIF11 | P52732 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8152668 | 0.90 | PTGS1 (0.52) | PTGS2PTGS1KIF11CA1CA2 | |
| SCHEMBL213239 | 0.87 | PTGS2 (0.56) | PTGS2PTGS1 | |
| SCHEMBL8138706 | 0.85 | PTGS2 (0.53) | PTGS2PTGS1KIF11CA1CA2 | |
| SCHEMBL7501561 | 0.84 | PTGS2 (0.54) | PTGS2PTGS1CA1CA2MAOA | |
| SCHEMBL7502720 | 0.84 | PTGS2 (0.54) | PTGS2PTGS1CA1CA2MAOA | |
| SCHEMBL7789636 | 0.82 | PTGS2 (0.53) | PTGS2PTGS1KIF11CA1CA2 | |
| SCHEMBL8147501 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1 | |
| SCHEMBL8153086 | 0.82 | PTGS2 (0.48) | PTGS2PTGS1KIF11CA1CA2 | |
| SCHEMBL4405116 | 0.81 | PTGS2 (0.44) | PTGS2PTGS1MAOB | |
| SCHEMBL7796653 | 0.80 | CA1 (0.54) | PTGS2PTGS1CA1CA2 |
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-6090834-A | ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS | G.D. SEARLE & CO. (US) | 2000-07-18 | — | — | US | disclosed |
| WO-1996036617-A1 | SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-11-21 | — | — | WO | disclosed |