Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7360634 | 0.88 | CHRM1 (0.42) | COMTCA12CA1CA2CA9 | |
| SCHEMBL7325041 | 0.85 | ROCK2 (0.36) | COMTALDH1A1 | |
| SCHEMBL7317797 | 0.84 | COMT (0.37) | COMTCA12CA1CA2CA9 | |
| SCHEMBL7329002 | 0.82 | COMT (0.52) | COMTCA12CA1CA2CA9 | |
| SCHEMBL7327006 | 0.77 | ROCK2 (0.39) | COMTMEN1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7316955 | 0.75 | CA12 (0.36) | COMTCA12CA1CA2CA9 | |
| SCHEMBL7324789 | 0.75 | COMT (0.43) | COMTKDM4ESMN1; SMN2ACLY | |
| SCHEMBL5083072 | 0.73 | ROCK2 (0.49) | COMTKDM4ESMN1; SMN2MAPTBLM | |
| SCHEMBL4732315 | 0.72 | MAPK1 (0.50) | SMN1; SMN2MMP2MMP13 | |
| SCHEMBL7328987 | 0.72 | COMT (0.35) | COMTCA12CA1CA2CA9 |
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 |