Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8780142 | 0.83 | MAPK1 (0.44) | AURKAKDRAHRPIM1CSNK1A1 | |
| SCHEMBL8780025 | 0.79 | MAPK1 (0.41) | AURKAKDRAHRPIM1CSNK1A1 | |
| SCHEMBL2935302 | 0.78 | AHR (0.41) | AURKAKDRAHRPIM1CSNK1A1 | |
| SCHEMBL26259996 | 0.75 | AURKA (0.48) | AURKAKDRCDK5PARP1HDAC1 | |
| SCHEMBL15416821 | 0.74 | KDR (0.47) | AURKAKDRCSNK1A1CDK5LRRK2 | |
| SCHEMBL1003737 | 0.74 | ALDH1A1 (0.46) | AHRPIM1CSNK1A1CDK5ROCK1 | |
| SCHEMBL1551082 | 0.70 | AURKA (0.53) | AURKAKDRCSNK1A1CDK5LRRK2 | |
| SCHEMBL26260010 | 0.70 | ALDH1A1 (0.48) | AURKAKDRPARP1ALDH1A1MAPK1 | |
| SCHEMBL13319521 | 0.69 | POLB (0.44) | AURKAKDRPARP1ALDH1A1MAPK1 | |
| SCHEMBL31408898 | 0.69 | AURKA (0.42) | AURKAKDRHDAC1HDAC6ADRA1D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3398214-A1 | ORGANIC SEMICONDUCTING MATERIAL AND USE THEREOF IN ORGANIC DEVICES | Heliatek GmbH (DE) | 2018-11-07 | — | — | EP | disclosed |