Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | EIF2AK1 | Q9BQI3 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | GCGR | P47871 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.32 |
| ▸ | STK10 | O94804 | 1/20 | 0.32 |
| ▸ | CLK2 | P49760 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8187489 | 0.83 | MAPT (0.39) | MAP4K1GSK3BMAPK14CCNE2CDK4 | |
| SCHEMBL8642444 | 0.81 | GSK3B (0.45) | IKBKBTRPM8GSK3BMAPK14 | |
| SCHEMBL8196909 | 0.79 | IKBKB (0.43) | IKBKBMAP4K1GSK3BGCGRMAPK14 | |
| SCHEMBL8639382 | 0.79 | MAPK14 (0.44) | GSK3BGCGRMAPK14GSK3ASLK | |
| SCHEMBL8197292 | 0.73 | PTGS2 (0.40) | IKBKBPTGS2PTGS1 | |
| SCHEMBL8196899 | 0.72 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL8188373 | 0.69 | KDM4E (0.48) | IKBKBMAP4K1MAPK14 | |
| SCHEMBL8069284 | 0.68 | PTGS2 (0.53) | MAP4K1PTGS2PTGS1 | |
| SCHEMBL6886003 | 0.68 | HSD17B10 (0.41) | — | |
| SCHEMBL8195709 | 0.66 | GSK3B (0.41) | GSK3BMAPK14CLK2CDK2PTGS2 |
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 |