Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL8779597 | 1.00 | CYP1A2 (0.45) | CYP1A2CYP2C9PTGS2PTGS1ALOX5 | |
| SCHEMBL8779690 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2C9PTGS2PTGS1ALOX5 | |
| SCHEMBL8779686 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2C9PTGS2PTGS1ALOX5 | |
| SCHEMBL8779638 | 0.77 | CYP1A2 (0.42) | CYP1A2CYP2C9PTGS2PTGS1ALOX5 | |
| SCHEMBL8779632 | 0.77 | CYP1A2 (0.42) | CYP1A2CYP2C9PTGS2PTGS1ALOX5 | |
| SCHEMBL5984202 | 0.73 | FNTA (0.42) | SRC | |
| SCHEMBL8779542 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2C9PTGS2PTGS1ALOX5 | |
| SCHEMBL8779535 | 0.72 | CYP1A2 (0.38) | CYP1A2CYP2C9PTGS2PTGS1ALOX5 | |
| SCHEMBL14392805 | 0.71 | VCAM1 (0.39) | — | |
| SCHEMBL7853750 | 0.68 | GABBR2 (0.49) | CYP1A2CYP2C9EGFRGAAEEF2K |
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 |
|---|---|---|---|---|---|---|---|
| EP-0525197-B1 | 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS | SHIONOGI & CO (JP) | 1997-08-27 | — | — | EP | disclosed |
| US-5319100-A | Antiinflammatory agent which does not cause stomach diseases | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1994-06-07 | — | — | US | disclosed |
| US-5319099-A | Antiinflammatory agent which does not cause stomach diseases | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1994-06-07 | — | — | US | disclosed |
| EP-0525197-A1 | 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-02-03 | — | — | EP | disclosed |