Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL7325090 | 0.91 | ACVR1 (0.41) | HRH3KCNH2ACVR1 | |
| SCHEMBL7324884 | 0.80 | CA2 (0.44) | KCNH2 | |
| SCHEMBL30142423 | 0.75 | CDK2 (0.47) | — | |
| SCHEMBL7312121 | 0.74 | CDK2 (0.50) | — | |
| SCHEMBL7318635 | 0.67 | MEN1 (0.39) | — | |
| SCHEMBL15305084 | 0.66 | ESR1 (0.43) | SIGMAR1HRH3 | |
| SCHEMBL7322195 | 0.65 | PRKD3 (0.60) | HTR2AHTR7HTR6 | |
| SCHEMBL30871666 | 0.64 | CA1 (0.45) | — | |
| SCHEMBL7735396 | 0.64 | CDK2 (0.62) | — | |
| SCHEMBL6994641 | 0.64 | CDK2 (0.53) | — |
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 |