Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8693252 | 0.95 | PTGS2 (0.65) | PTGS2PTGS1PDPK1CHRNA7CA1 | |
| SCHEMBL8691511 | 0.88 | PTGS2 (0.51) | PTGS2PTGS1PDPK1CA1CA2 | |
| SCHEMBL8640732 | 0.84 | PTGS2 (0.50) | PTGS2PTGS1PDPK1CHRNA7CA2 | |
| SCHEMBL8689658 | 0.84 | PTGS2 (0.50) | PTGS2PTGS1PDPK1CA1CA2 | |
| SCHEMBL8637414 | 0.84 | PTGS2 (0.50) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8689144 | 0.82 | PTGS2 (0.48) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL215235 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1CHRNA7CA1CA2 | |
| Benzenesulfonamide SCHEMBL7868738 | 0.80 | PTGS2 (0.60) | PTGS2PTGS1PDPK1CHRNA7CA1 | |
| SCHEMBL8639776 | 0.80 | PTGS2 (0.49) | PTGS2PTGS1PDPK1CA1CA2 | |
| Sulfamide SCHEMBL7144379 | 0.80 | PTGS2 (0.76) | PTGS2PTGS1PDPK1CHRNA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001527542-A | — | — | 2001-12-25 | — | — | JP | claimed |
| EP-0979077-A1 | METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS | G.D. Searle & Co. (US) | 2000-02-16 | — | — | EP | claimed |
| WO-1998047509-A1 | METHOD OF USING CYCLOOXYGENASE-2 INHIBITORS IN THE PREVENTION OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1998-10-29 | — | — | WO | claimed |