Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.52 |
| ▸ | CCR4 | P51679 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | PRKX | P51817 | 1/20 | 0.37 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 5/20 | 0.37 |
| ▸ | HTR1A | P08908 | 4/20 | 0.37 |
| ▸ | DRD2 | P14416 | 4/20 | 0.37 |
| ▸ | HTR2A | P28223 | 4/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
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 | 0.85 | COMT (0.40) | COMTLMNAROCK2PRKXPRKCE | |
| SCHEMBL7324789 | 0.83 | COMT (0.43) | COMTCCR4LMNAROCK2PRKX | |
| SCHEMBL7316968 | 0.82 | COMT (0.46) | COMTCA12CA1CA2CA9 | |
| SCHEMBL7319338 | 0.82 | ROCK2 (0.39) | COMTLMNAROCK2PRKXPRKCE | |
| SCHEMBL7327006 | 0.77 | ROCK2 (0.39) | COMTLMNAROCK2PRKXPRKCE | |
| SCHEMBL7320742 | 0.75 | CHRM1 (0.42) | COMTCCR4LMNAROCK2PRKX | |
| SCHEMBL7317797 | 0.74 | COMT (0.37) | COMTLMNAROCK2PRKXPRKCE | |
| SCHEMBL4725363 | 0.74 | ROCK2 (0.48) | COMTLMNAROCK2PRKXPRKCE | |
| SCHEMBL4727540 | 0.73 | FABP6 (0.47) | COMTROCK2PRKXPRKCEPRKCD | |
| SCHEMBL5083072 | 0.73 | ROCK2 (0.49) | COMTLMNAROCK2PRKXPRKCE |
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 |