Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.53 |
| ▸ | BTK | Q06187 | 5/20 | 0.42 |
| ▸ | JAK3 | P52333 | 4/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 2/20 | 0.37 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.37 |
| ▸ | VSIR | Q9H7M9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12002573 | 0.90 | PLK4 (0.51) | PLK4BTKJAK3HCRTR2PIK3CA | |
| SCHEMBL1662386 | 0.88 | PLK4 (0.50) | PLK4BTKJAK3HCRTR2PIK3CA | |
| SCHEMBL1662604 | 0.86 | PLK4 (0.47) | PLK4BTKJAK3HCRTR2PIK3CA | |
| SCHEMBL1662793 | 0.80 | PLK4 (0.46) | PLK4BTKJAK3JAK2TTK | |
| SCHEMBL672557 | 0.79 | JAK3 (0.51) | JAK3HCRTR2HDAC3JAK2HDAC4 | |
| SCHEMBL1662699 | 0.78 | PLK4 (0.43) | PLK4BTKJAK3HCRTR2PIK3CA | |
| SCHEMBL1662850 | 0.78 | PLK4 (0.43) | PLK4BTKJAK3JAK2TTK | |
| SCHEMBL1662581 | 0.77 | BTK (0.44) | PLK4BTKJAK3 | |
| SCHEMBL1663011 | 0.77 | TTK (0.45) | PLK4BTKJAK3JAK2TTK | |
| SCHEMBL671993 | 0.75 | JAK3 (0.52) | JAK3HDAC3JAK2HDAC4HDAC1 |
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-2491039-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | Cellzome Limited (GB) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011048082-A1 | HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS | CELLZOME LIMITED (GB) | 2011-04-28 | — | — | WO | disclosed |