Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 5/20 | 0.37 |
| ▸ | HTR1D | P28221 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | PRKX | P51817 | 1/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7321039 | 0.92 | COMT (0.40) | ROCK2ROCK1COMTATMHTR7 | |
| SCHEMBL7323647 | 0.89 | ROCK2 (0.39) | ROCK2ROCK1COMTATMHTR7 | |
| SCHEMBL7329002 | 0.82 | COMT (0.52) | ROCK2ROCK1COMTHTR7HTR1D | |
| SCHEMBL7325041 | 0.77 | ROCK2 (0.36) | ROCK2ROCK1COMTHTR7HTR1D | |
| SCHEMBL7327006 | 0.77 | ROCK2 (0.39) | ROCK2ROCK1COMTHTR7HTR1D | |
| SCHEMBL7320742 | 0.77 | CHRM1 (0.42) | ROCK2ROCK1COMTHTR7HTR1D | |
| SCHEMBL7324789 | 0.77 | COMT (0.43) | ROCK2ROCK1COMTHTR7HTR1D | |
| SCHEMBL23795383 | 0.76 | ROCK1 (0.43) | ROCK2ROCK1COMTHTR7HTR1D | |
| SCHEMBL30439177 | 0.76 | ROCK1 (0.43) | ROCK2ROCK1COMTHTR7HTR1D | |
| SCHEMBL23795416 | 0.76 | ROCK1 (0.43) | ROCK2ROCK1COMTHTR7HTR1D |
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 |
|---|---|---|---|---|---|---|---|
| EP-0287696-B1 | ISOQUINOLINE DERIVATIVES | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1991-01-02 | — | — | EP | disclosed |
| EP-0287696-A1 | Isoquinoline derivatives | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1988-10-26 | — | — | EP | disclosed |