Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 4/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8934431 | 0.89 | ROCK1 (0.41) | ROCK1HTR1AHRH1 | |
| SCHEMBL8937242 | 0.88 | OPRL1 (0.40) | HTR1AHRH1CCR3 | |
| SCHEMBL8934541 | 0.87 | BRD4 (0.39) | HTR1ABRD4HRH1CCR3 | |
| SCHEMBL8937187 | 0.86 | HRH1 (0.39) | HTR1AHRH1CCR3 | |
| SCHEMBL8938665 | 0.85 | ROCK1 (0.44) | ROCK1PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL8937197 | 0.85 | DRD2 (0.42) | HTR1AHRH1CCR3 | |
| SCHEMBL8937200 | 0.83 | MAOA (0.43) | HTR1AHRH1CCR3 | |
| SCHEMBL8937201 | 0.83 | HRH1 (0.42) | HTR1AHRH1CCR3 | |
| SCHEMBL8937203 | 0.81 | HTR1A (0.37) | HTR1AHRH1CCR3 | |
| SCHEMBL8937220 | 0.81 | HRH1 (0.39) | HRH1CCR3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8188117-B2 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2012-05-29 | — | — | US | disclosed |