Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL8200042 | 0.87 | AR (0.37) | ARAURKANTRK1KDRAURKB | |
| SCHEMBL8196703 | 0.86 | PTGS2 (0.42) | ALDH1A1 | |
| SCHEMBL8188363 | 0.84 | FYN (0.38) | AURKANTRK1KDRAURKBALDH1A1 | |
| SCHEMBL8196932 | 0.81 | HTT (0.41) | — | |
| SCHEMBL8188386 | 0.81 | NR1H2 (0.40) | — | |
| SCHEMBL8194835 | 0.81 | PTGS2 (0.41) | ALDH1A1 | |
| SCHEMBL8199177 | 0.80 | PTGS2 (0.41) | AURKANTRK1KDRAURKBALDH1A1 | |
| SCHEMBL8187629 | 0.80 | PTGS2 (0.41) | ALDH1A1 | |
| SCHEMBL8200043 | 0.79 | PTGS2 (0.40) | ALDH1A1 | |
| SCHEMBL8195802 | 0.79 | NR1H2 (0.37) | AURKANTRK1KDRAURKBALDH1A1 |
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 |