Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | 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 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL8188363 | 0.94 | FYN (0.38) | FYNAURKANTRK1KDRAURKB | |
| SCHEMBL8194835 | 0.87 | PTGS2 (0.41) | NR1H2NR1H3ALDH1A1PTGS2TP53 | |
| SCHEMBL8187629 | 0.84 | PTGS2 (0.41) | CA2ALDH1A1PTGS2TP53SMN1; SMN2 | |
| SCHEMBL8200043 | 0.84 | PTGS2 (0.40) | CA2ALDH1A1PTGS2TP53SMN1; SMN2 | |
| SCHEMBL8196703 | 0.81 | PTGS2 (0.42) | ALDH1A1PTGS2LMNAKMT2A | |
| SCHEMBL8199177 | 0.79 | PTGS2 (0.41) | FYNAURKANTRK1KDRAURKB | |
| SCHEMBL8196846 | 0.79 | AR (0.39) | AURKANTRK1KDRAURKBALDH1A1 | |
| SCHEMBL8201315 | 0.79 | KDM4E (0.34) | FYNALDH1A1PTGS2MAPTCHEK1 | |
| SCHEMBL8196932 | 0.78 | HTT (0.41) | PTGS2SMN1; SMN2MAPTKMT2ANPSR1 | |
| SCHEMBL8188386 | 0.78 | NR1H2 (0.40) | NR1H2NR1H3PTGS2SMN1; SMN2 |
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 |