Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9145852 | 0.82 | HDAC1 (0.33) | AURKAKDRHDAC6HDAC1 | |
| SCHEMBL20548825 | 0.78 | AURKA (0.42) | AHRAURKAKDRPARP1HDAC6 | |
| SCHEMBL8780142 | 0.76 | MAPK1 (0.44) | AHRAURKAKDRHDAC6HDAC1 | |
| SCHEMBL6068223 | 0.73 | IDO1 (0.50) | AURKAKDRPARP1HDAC6HDAC1 | |
| SCHEMBL17065832 | 0.73 | ALDH1A1 (0.39) | PARP1CSF1RCYP2A6 | |
| SCHEMBL8780025 | 0.73 | MAPK1 (0.41) | AHRAURKAKDRHDAC6HDAC1 | |
| SCHEMBL28461513 | 0.73 | CSF1R (0.34) | AURKAKDRHDAC6HDAC1CSF1R | |
| Hydrochloric Acid SCHEMBL7988951 | 0.72 | HDAC6 (0.40) | AURKAKDRPARP1HDAC6HDAC1 | |
| SCHEMBL1768468 | 0.71 | AHR (0.43) | AHRPARP1DYRK1APIM1CSNK1A1 | |
| SCHEMBL380666 | 0.70 | — | — |
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-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |