Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 4/20 | 0.57 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.57 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.57 |
| ▸ | DRD2 | P14416 | 13/20 | 0.50 |
| ▸ | DRD4 | P21917 | 5/20 | 0.50 |
| ▸ | DRD3 | P35462 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PTAFR | P25105 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PDE1A | P54750 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19732216 | 0.87 | DRD2 (0.57) | DRD2DRD4DRD3ACHEMAOB | |
| SCHEMBL30712216 | 0.87 | DRD2 (0.57) | DRD2DRD4DRD3ACHEMAOB | |
| SCHEMBL18496117 | 0.86 | PDE3B (0.53) | PDE3BPDE3AP2RY12DRD2DRD4 | |
| SCHEMBL18496133 | 0.83 | PDE2A (0.53) | PDE3BPDE3AP2RY12DRD2DRD4 | |
| SCHEMBL30712220 | 0.83 | PDE2A (0.53) | PDE3BPDE3AP2RY12DRD2DRD4 | |
| SCHEMBL18507945 | 0.83 | DRD2 (0.54) | DRD2DRD4DRD3ACHEMAOB | |
| SCHEMBL15854760 | 0.83 | DRD2 (0.52) | DRD2DRD4DRD3ACHEMAOB | |
| SCHEMBL10285857 | 0.83 | DRD2 (0.53) | PDE3BPDE3ADRD2DRD4DRD3 | |
| SCHEMBL14188967 | 0.82 | DRD2 (0.51) | DRD2DRD4DRD3ACHEMAOB | |
| SCHEMBL29433201 | 0.81 | DRD2 (0.54) | DRD2DRD4DRD3ACHEMAOB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017025987-A1 | PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE | MYLAN LABORATORIES LIMITED (IN) | 2017-02-16 | — | — | WO | disclosed |