Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.68 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 4/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.48 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779752 | 1.00 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8779690 | 0.76 | CYP1A2 (0.68) | CYP1A2PTGS2EGFRERBB2IGF1R | |
| SCHEMBL8779686 | 0.76 | CYP1A2 (0.68) | CYP1A2PTGS2EGFRERBB2IGF1R | |
| SCHEMBL11129914 | 0.75 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8992017 | 0.74 | PTGS2 (0.56) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8992013 | 0.74 | PTGS2 (0.56) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8582453 | 0.71 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8779681 | 0.71 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8670047 | 0.71 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8779682 | 0.71 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2EGFR |
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 |