Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | GLRA1 | P23415 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779696 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8779681 | 0.86 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8779682 | 0.86 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2B6PTGS2EGFR | |
| SCHEMBL8779671 | 0.82 | CYP1A2 (0.54) | CYP1A2PTGS2EGFRPTGS1CYP2C9 | |
| SCHEMBL8779665 | 0.82 | CYP1A2 (0.54) | CYP1A2PTGS2EGFRPTGS1CYP2C9 | |
| SCHEMBL8779666 | 0.73 | CYP1A2 (0.56) | CYP1A2PTGS2EGFRPTGS1CYP2C9 | |
| SCHEMBL8779729 | 0.73 | CYP1A2 (0.55) | CYP1A2PTGS2EGFRPTGS1CYP2C9 | |
| SCHEMBL8779734 | 0.73 | CYP1A2 (0.55) | CYP1A2PTGS2EGFRPTGS1CYP2C9 | |
| SCHEMBL8779542 | 0.73 | CYP1A2 (0.38) | CYP1A2PTGS2EGFRPTGS1CYP2C9 | |
| SCHEMBL8779535 | 0.73 | CYP1A2 (0.38) | CYP1A2PTGS2EGFRPTGS1CYP2C9 |
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 |