Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 7/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CSF1R | P07333 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8939216 | 0.89 | MAOA (0.53) | ROCK1HRH3ROCK2KCNH2MAOA | |
| SCHEMBL8939223 | 0.87 | HRH3 (0.53) | ROCK1HRH3ROCK2KCNH2MEN1 | |
| SCHEMBL14981035 | 0.86 | ROCK1 (0.49) | ROCK1HRH3ROCK2KCNH2MAOA | |
| SCHEMBL4006463 | 0.86 | ROCK1 (0.72) | ROCK1HRH3ROCK2KCNH2FGFR1 | |
| SCHEMBL8148282 | 0.85 | ROCK1 (0.57) | ROCK1ROCK2KCNH2 | |
| Sar-407899 Free Base SCHEMBL8934240 | 0.79 | ROCK1 (0.72) | ROCK1HRH3ROCK2KCNH2 | |
| SCHEMBL12211290 | 0.79 | ROCK1 (0.54) | ROCK1ROCK2KCNH2 | |
| SCHEMBL18322849 | 0.78 | HRH3 (0.48) | ROCK1HRH3ROCK2KCNH2CSF1R | |
| SCHEMBL12192811 | 0.78 | IKBKB (0.56) | ROCK1HRH3ROCK2CCR2 | |
| SCHEMBL8934734 | 0.74 | ROCK1 (0.66) | ROCK1HRH3ROCK2MAOAMAOB |
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 2 patents. 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 |
| US-8188117-B2 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2012-05-29 | — | — | US | disclosed |