Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BRD2 | P25440 | 1/20 | 0.35 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8188503 | 0.92 | PTGS2 (0.40) | PTGS2CA2PTGDR2PTGS1NR1H2 | |
| SCHEMBL8200031 | 0.90 | PTGS2 (0.39) | PTGS2CA2PTGDR2PTGS1BRD4 | |
| SCHEMBL8196899 | 0.88 | PTGS2 (0.39) | PTGS2CA2PTGDR2PTGS1BRD4 | |
| SCHEMBL8195877 | 0.85 | PTGS2 (0.41) | PTGS2CA2PTGDR2PTGS1ALDH1A1 | |
| SCHEMBL8196926 | 0.85 | CA2 (0.42) | PTGS2CA2PTGS1ALDH1A1 | |
| SCHEMBL8196062 | 0.85 | ALDH1A1 (0.46) | PTGS2CA2ALDH1A1MAPT | |
| SCHEMBL8199737 | 0.83 | PTGS2 (0.40) | PTGS2CA2PTGDR2PTGS1BRD4 | |
| SCHEMBL8202075 | 0.83 | PTGS2 (0.37) | PTGS2PTGS1MAPT | |
| SCHEMBL8068397 | 0.82 | PTGS2 (0.53) | PTGS2 | |
| SCHEMBL8196010 | 0.82 | CA2 (0.43) | PTGS2CA2PTGDR2PTGS1 |
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-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |