Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8933875 | 0.81 | PTGS2 (0.47) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8993413 | 0.67 | PTGS2 (0.47) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL8828054 | 0.65 | PTGS2 (0.47) | PTGS2PTGS1CHRNA7CA1CA2 | |
| Trifluoroacetic Acid SCHEMBL27865608 | 0.57 | CA2 (0.59) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL6352339 | 0.55 | PTGS2 (0.81) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8688866 | 0.55 | PTGS2 (0.46) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL3245730 | 0.55 | PTGS2 (0.77) | PTGS2PTGS1 | |
| SCHEMBL5857453 | 0.54 | PTGS2 (0.46) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8689162 | 0.53 | PTGS2 (0.46) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL7216763 | 0.53 | CHRNA7 (0.62) | PTGS2PTGS1CHRNA7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5547975-A | ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION | G.D. SEARLE & CO. | 1996-08-20 | — | — | US | disclosed |