Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.73 |
| ▸ | ALDH2 | P05091 | 4/20 | 0.73 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.73 |
| ▸ | PARK7 | Q99497 | 4/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | RAB9A | P51151 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA4 | P22748 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | GSK3A | P49840 | 1/20 | 0.59 |
| ▸ | GSK3B | P49841 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1142116 | 0.93 | CASP3 (0.86) | CASP3ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL29724090 | 0.93 | CASP3 (0.86) | CASP3ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL13442856 | 0.90 | CASP3 (0.81) | CASP3ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL3745584 | 0.87 | CASP3 (0.77) | CASP3ALDH1A1ALDH2ALDH3A1PARK7 | |
| Dimethylamine SCHEMBL4418548 | 0.86 | CASP3 (0.75) | CASP3ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL16799085 | 0.84 | ALDH1A1 (1.00) | CASP3ALDH1A1ALDH2ALDH3A1PARK7 | |
| SCHEMBL45050 | 0.81 | TDP1 (0.86) | CASP3ALDH1A1ALDH2ALDH3A1MAPT | |
| SCHEMBL13442853 | 0.81 | CASP3 (1.00) | CASP3ALDH1A1ALDH2ALDH3A1MAPT | |
| SCHEMBL30371663 | 0.81 | TDP1 (0.86) | CASP3ALDH1A1ALDH2ALDH3A1MAPT | |
| SCHEMBL822573 | 0.81 | ALDH1A1 (0.75) | CASP3ALDH1A1ALDH2ALDH3A1PARK7 |
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 |
|---|---|---|---|---|---|---|---|
| US-7683073-B2 | Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2010-03-23 | — | — | US | disclosed |
| US-7683073-B2 | Isoquinoline-1,3,4-trione compounds, the synthetic method and the use thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2010-03-23 | — | — | US | disclosed |