Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 11/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.33 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL14050837 | 0.92 | HRH4 (0.34) | HRH4HRH3KCNH2AKT1HRH2 | |
| SCHEMBL11930804 | 0.91 | CHEK1 (0.35) | HRH4HRH3KCNH2AKT1HRH2 | |
| SCHEMBL14545857 | 0.90 | HRH4 (0.36) | HRH4HRH3KCNH2AKT1HRH2 | |
| SCHEMBL11930800 | 0.83 | CHEK1 (0.36) | HRH4HRH3KCNH2AKT1HRH2 | |
| SCHEMBL14050907 | 0.83 | SUV39H2 (0.40) | — | |
| SCHEMBL15393807 | 0.82 | CHEK1 (0.36) | HRH4HRH3KCNH2AKT1HRH2 | |
| SCHEMBL11930805 | 0.80 | HRH4 (0.35) | HRH4HRH3KCNH2AKT1HRH2 | |
| SCHEMBL11930846 | 0.79 | ABL1 (0.38) | HRH4HRH3KCNH2CHEK1CCNA2 | |
| SCHEMBL11930847 | 0.79 | ABL1 (0.38) | HRH4HRH3KCNH2CHEK1CCNA2 | |
| SCHEMBL11930799 | 0.76 | PDE10A (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007044449-A2 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | SCHERING CORPORATION (US) | 2007-04-19 | — | — | WO | disclosed |