Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTK6 | Q13882 | 3/20 | 0.42 |
| ▸ | PLK4 | O00444 | 5/20 | 0.40 |
| ▸ | PAK4 | O96013 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.35 |
| ▸ | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | P62805 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1662570 | 0.82 | LRRK2 (0.42) | PLK4PAK4LRRK2HTR2AHTR2C | |
| SCHEMBL1664797 | 0.77 | LRRK2 (0.36) | PLK4PAK4CYP1A2LRRK2HTR2A | |
| SCHEMBL12801992 | 0.73 | LRRK2 (0.37) | PTK6PLK4PAK4CYP1A2LRRK2 | |
| SCHEMBL1662711 | 0.69 | JAK3 (0.42) | PLK4PAK4JAK3 | |
| SCHEMBL1662520 | 0.69 | LRRK2 (0.43) | CYP1A2LRRK2FLT4JAK3 | |
| SCHEMBL1662898 | 0.68 | JAK3 (0.39) | LRRK2HTR2AHTR2CFLT4JAK3 | |
| SCHEMBL5569386 | 0.68 | PARP1 (0.47) | PLK4PAK4CYP1A2HTR2AHTR2C | |
| SCHEMBL1662793 | 0.66 | PLK4 (0.46) | PLK4JAK3CDK2 | |
| SCHEMBL25377727 | 0.65 | GAA (0.43) | CYP1A2LRRK2BRD4 | |
| SCHEMBL27569693 | 0.64 | BRD4 (0.49) | BRD4 |
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 |