Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.63 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 9/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 9/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.45 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.44 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.44 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8836452 | 0.88 | PTGS2 (0.62) | PTGS2ADORA2AADORA2BADORA1MAPK14 | |
| SCHEMBL8836681 | 0.83 | PTGS2 (0.70) | PTGS2ADORA2AADORA2BADORA1MAPK14 | |
| SCHEMBL8836442 | 0.83 | PTGS2 (0.70) | PTGS2ADORA2AADORA2BADORA1MAPK14 | |
| SCHEMBL16008517 | 0.80 | PTGS2 (0.57) | PTGS2MAPK14GSK3BKCNQ3KCNQ2 | |
| SCHEMBL20376930 | 0.80 | PTGS2 (0.57) | PTGS2ADORA2AADORA2BADORA1MAPK14 | |
| SCHEMBL8836696 | 0.78 | PTGS2 (0.62) | PTGS2ADORA2AADORA2BADORA1MAPK14 | |
| SCHEMBL20376837 | 0.78 | PTGS2 (0.54) | PTGS2MAPK14EGFRKCNQ3KCNQ2 | |
| SCHEMBL8836182 | 0.78 | PTGS2 (0.62) | PTGS2ADORA2AADORA2BADORA1MAPK14 | |
| SCHEMBL8836205 | 0.76 | PTGS2 (0.57) | PTGS2ADORA2AADORA2BADORA1MAPK14 | |
| SCHEMBL20376941 | 0.76 | GSK3B (0.54) | PTGS2MAPK14GSK3BKCNQ3KCNQ2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5624931-A | Pyrazole derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-29 | — | — | US | disclosed |
| US-5478827-A | Inhibits Interleukin-1 and tumor necrosis factor production | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-12-26 | — | — | US | disclosed |
| US-5356897-A | Inhibit the production of Interleukin-1 and tumor necrosis factor; administering for treatment of chronic inflammatory diseases, autoimmune diseases and sepsis-induced organ injury | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-10-18 | — | — | US | disclosed |
| EP-0531901-A2 | Condensed pyrazole derivatives with interleukin-1 and tumour necrosis factor inhibitory activity | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1993-03-17 | — | — | EP | disclosed |