Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8188096 | 0.92 | PTGS2 (0.42) | AURKANTRK1KDRAURKBPTGDR2 | |
| SCHEMBL8196899 | 0.87 | PTGS2 (0.39) | ALDH1A1CA2PTGDR2PTGS2 | |
| SCHEMBL8196861 | 0.86 | PTGS2 (0.43) | ALDH1A1AURKANTRK1KDRAURKB | |
| SCHEMBL8200031 | 0.85 | PTGS2 (0.39) | ALDH1A1MAPTCA2PTGDR2PTGS2 | |
| SCHEMBL8196169 | 0.83 | ALDH1A1 (0.37) | ALDH1A1MAPTAURKANTRK1KDR | |
| SCHEMBL8196062 | 0.82 | ALDH1A1 (0.46) | ALDH1A1MAPTCA2SMN1; SMN2PTGS2 | |
| SCHEMBL8196010 | 0.82 | CA2 (0.43) | CA2PTGDR2PTGS2 | |
| SCHEMBL8187634 | 0.82 | GRM5 (0.38) | ALDH1A1MAPTAURKANTRK1KDR | |
| SCHEMBL8196195 | 0.81 | PTGS2 (0.40) | AURKBCA2FYNPTGDR2MAPK1 | |
| SCHEMBL8194835 | 0.81 | PTGS2 (0.41) | ALDH1A1SMN1; SMN2PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | claimed |
| WO-2000018741-A2 | PYRAZOLE COMPOUNDS AS COX-2 INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-06 | — | — | WO | disclosed |