Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKX | P51817 | 1/20 | 0.36 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | USP5 | P45974 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ACLY | P53396 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7316968 | 0.84 | COMT (0.46) | COMTMMP2MMP13ACLYSMN1; SMN2 | |
| SCHEMBL7325041 | 0.81 | ROCK2 (0.36) | COMTROCK2PRKXPRKCEPRKCD | |
| SCHEMBL7324789 | 0.80 | COMT (0.43) | COMTROCK2PRKXPRKCEPRKCD | |
| SCHEMBL7327006 | 0.78 | ROCK2 (0.39) | COMTROCK2PRKXPRKCEPRKCD | |
| SCHEMBL5083072 | 0.74 | ROCK2 (0.49) | COMTROCK2PRKXPRKCEPRKCD | |
| SCHEMBL7329002 | 0.74 | COMT (0.52) | COMTROCK2PRKXPRKCEPRKCD | |
| SCHEMBL4728648 | 0.73 | ROCK2 (0.45) | COMTROCK2PRKXPRKCEPRKCD | |
| SCHEMBL7317793 | 0.72 | SLC18A3 (0.32) | MMP2MMP13CA12CA1CA2 | |
| SCHEMBL7360634 | 0.72 | CHRM1 (0.42) | COMTMMP2MMP13CHRM1ACLY | |
| SCHEMBL7326984 | 0.72 | CHRM1 (0.46) | HSD11B1ROCK2PRKXPRKCEPRKCD |
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 |