Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.64 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8033030 | 0.86 | PTGS2 (0.72) | PTGS2CHRNA7CA1CA2CA9 | |
| SCHEMBL8032930 | 0.81 | PTGS2 (0.75) | PTGS2CHRNA7CA1CA2CA9 | |
| SCHEMBL8023934 | 0.80 | PTGS2 (0.73) | PTGS2CHRNA7CA1CA2CA9 | |
| SCHEMBL5149105 | 0.80 | MALT1 (0.60) | PTGS2CHRNA7MALT1MGLL | |
| Hydrochloric Acid SCHEMBL5148839 | 0.79 | PTGS2 (0.60) | PTGS2CHRNA7MALT1MGLL | |
| SCHEMBL8039325 | 0.79 | PTGS2 (0.75) | PTGS2CA1CA2CA9 | |
| SCHEMBL8023286 | 0.79 | PTGS2 (0.72) | PTGS2CHRNA7CA1CA2CA9 | |
| SCHEMBL8023297 | 0.78 | PTGS2 (0.73) | PTGS2CA1CA2CA9 | |
| SCHEMBL8023493 | 0.78 | PTGS2 (0.70) | PTGS2CA1CA2CA9 | |
| SCHEMBL896892 | 0.78 | PTGS2 (1.00) | PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000066562-A1 | PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY | DR. REDDY'S RESEARCH FOUNDATION (IN) | 2000-11-09 | — | — | WO | disclosed |