Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 10/20 | 0.57 |
| ▸ | DRD2 | P14416 | 8/20 | 0.50 |
| ▸ | DRD1 | P21728 | 3/20 | 0.50 |
| ▸ | HTR1A | P08908 | 6/20 | 0.47 |
| ▸ | HTR2A | P28223 | 4/20 | 0.43 |
| ▸ | HTR7 | P34969 | 4/20 | 0.43 |
| ▸ | HTR6 | P50406 | 4/20 | 0.43 |
| ▸ | DRD4 | P21917 | 4/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6995998 | 1.00 | DRD3 (0.57) | DRD3DRD2DRD1HTR1AHTR2A | |
| SCHEMBL6989073 | 0.87 | DRD3 (0.62) | DRD3DRD2DRD1HTR1AHTR2A | |
| SCHEMBL6992602 | 0.86 | HTR1A (0.48) | DRD3DRD2DRD1HTR1AHTR2A | |
| SCHEMBL6992608 | 0.86 | HTR1A (0.48) | DRD3DRD2DRD1HTR1AHTR2A | |
| SCHEMBL6989075 | 0.84 | HTR1A (0.49) | DRD3DRD2DRD1HTR1AHTR2A | |
| SCHEMBL6989077 | 0.84 | HTR1A (0.49) | DRD3DRD2DRD1HTR1AHTR2A | |
| SCHEMBL6780246 | 0.83 | DRD3 (0.65) | DRD3DRD2DRD1HTR1AHTR2A | |
| SCHEMBL6989849 | 0.83 | KDM4E (0.47) | DRD3DRD2DRD4 | |
| SCHEMBL6989852 | 0.83 | KDM4E (0.47) | DRD3DRD2DRD4 | |
| SCHEMBL6992191 | 0.81 | DRD3 (0.62) | DRD3DRD2DRD1HTR1AHTR7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0557526-B1 | PYRROLOAZEPINE COMPOUND | SUNTORY LTD (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5399557-A | Cardiovascular disorders | SUNTORY LIMITED (JP) | 1995-03-21 | — | — | US | disclosed |
| EP-0557526-A1 | PYRROLOAZEPINE COMPOUND | SUNTORY LIMITED (JP) | 1993-09-01 | — | — | EP | disclosed |