Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP7 | P09237 | 2/20 | 0.37 |
| ▸ | MMP14 | P50281 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL8196010 | 0.92 | CA2 (0.43) | CA2LOXPTGS2 | |
| SCHEMBL8196062 | 0.89 | ALDH1A1 (0.46) | CA2PTGS2 | |
| SCHEMBL8196926 | 0.89 | CA2 (0.42) | CA2LOXPTGS2 | |
| SCHEMBL8196195 | 0.89 | PTGS2 (0.40) | CA2RPS6KA3MAPK1PTGS2 | |
| SCHEMBL8195776 | 0.84 | CA2 (0.41) | CA2PTGS2 | |
| SCHEMBL8196899 | 0.83 | PTGS2 (0.39) | CA2PTGS2 | |
| SCHEMBL8200031 | 0.83 | PTGS2 (0.39) | CA2PTGS2 | |
| SCHEMBL8196142 | 0.82 | PTGS2 (0.37) | CA2PTGS2 | |
| SCHEMBL8188503 | 0.82 | PTGS2 (0.40) | CA2PTGS2 | |
| SCHEMBL8188096 | 0.81 | PTGS2 (0.42) | PTGS2 |
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 |