Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779647 | 1.00 | CYP1A2 (0.49) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779733 | 0.87 | CYP1A2 (0.43) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL9303653 | 0.87 | CYP1A2 (0.43) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779581 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779709 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779587 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779714 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779666 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779663 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2C9EGFRPTGS2PTGS1 | |
| SCHEMBL8779665 | 0.85 | CYP1A2 (0.54) | CYP1A2CYP2C9EGFRPTGS2PTGS1 |
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 |