Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.46 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.46 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8935171 | 0.93 | ROCK1 (0.51) | ROCK1MAOAMAOBHRH1CCR3 | |
| SCHEMBL8935163 | 0.90 | ROCK1 (0.52) | ROCK1OPRM1MAOAMAOBHRH1 | |
| SCHEMBL8935224 | 0.87 | ROCK1 (0.55) | ROCK1MAOAMAOBHRH1CCR3 | |
| SCHEMBL8938824 | 0.87 | OPRM1 (0.48) | ROCK1OPRM1OPRD1OPRK1CACNA1F | |
| SCHEMBL8938636 | 0.85 | ROCK1 (0.53) | ROCK1OPRM1OPRD1OPRK1CACNA1F | |
| SCHEMBL8935147 | 0.84 | MAOB (0.62) | ROCK1MAOAMAOBHRH1CCR3 | |
| SCHEMBL8935217 | 0.83 | ROCK1 (0.53) | ROCK1MAOAMAOBHRH1CCR3 | |
| SCHEMBL8935195 | 0.83 | MAOA (0.61) | ROCK1OPRK1MAOAMAOBHRH1 | |
| SCHEMBL8938789 | 0.83 | ROCK1 (0.51) | ROCK1MAOAMAOBHRH1CCR3 | |
| SCHEMBL8938969 | 0.82 | OPRM1 (0.44) | OPRM1OPRD1OPRK1CACNA1FCHRM2 |
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 |