Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | LTK | P29376 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637992 | 0.82 | MAPK14 (0.46) | ALKRPS6KA3MAPK1NPSR1MAPK13 | |
| SCHEMBL8194840 | 0.75 | MAPT (0.37) | MAPTALDH1A1LMNAMAPK1NPSR1 | |
| SCHEMBL31256698 | 0.74 | MAPK1 (0.47) | XDHSMN1; SMN2MAPTHSD17B1ALDH1A1 | |
| SCHEMBL8196956 | 0.66 | CA2 (0.36) | LMNA | |
| SCHEMBL8640165 | 0.66 | RPS6KA3 (0.33) | MAP4K4RETKDRGSK3BLIMK1 | |
| SCHEMBL9664436 | 0.66 | HPGD (0.68) | SMN1; SMN2MAPTALDH1A1LMNAMAPK1 | |
| SCHEMBL8637748 | 0.65 | PTGS2 (0.56) | — | |
| SCHEMBL8642584 | 0.65 | BRD4 (0.43) | XDHBRD4SMN1; SMN2MAPTFYN | |
| SCHEMBL8201683 | 0.64 | MAPK14 (0.44) | MAPTRPS6KA3MAPK1NPSR1MAPK13 | |
| SCHEMBL8196073 | 0.64 | ENPP1 (0.35) | RPS6KA3LMNAMAPK1NPSR1MAPK14 |
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 |