Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 4/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 4/20 | 0.40 |
| ▸ | CCR3 | P51677 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8935228 | 0.94 | ROCK1 (0.51) | ROCK1MAOAMAOBADRB2PARP1 | |
| SCHEMBL8939053 | 0.90 | MAOA (0.45) | ROCK1MAOAMAOBADRB2PARP1 | |
| SCHEMBL8935224 | 0.88 | ROCK1 (0.55) | ROCK1MAOAMAOBADRB2PARP1 | |
| SCHEMBL8935147 | 0.88 | MAOB (0.62) | ROCK1MAOAMAOBPARP1HRH3 | |
| SCHEMBL8935195 | 0.86 | MAOA (0.61) | ROCK1MAOAMAOBPARP1HRH3 | |
| SCHEMBL8935217 | 0.85 | ROCK1 (0.53) | ROCK1MAOAMAOBPARP1HRH3 | |
| SCHEMBL8935247 | 0.85 | ROCK1 (0.53) | ROCK1MAOAMAOBPARP1HRH3 | |
| SCHEMBL8938736 | 0.84 | ROCK1 (0.53) | ROCK1MAOAMAOBADRB2ROCK2 | |
| SCHEMBL8935149 | 0.84 | MAOA (0.64) | ROCK1MAOAMAOBPARP1HRH1 | |
| SCHEMBL8937149 | 0.83 | ADRB2 (0.50) | MAOAMAOBADRB2PARP1HRH3 |
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 |