Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16654378 | 0.88 | TLR7 (0.37) | BTKBRAFPDE4APDE4BPDE4C | |
| SCHEMBL16654930 | 0.87 | PIK3CD (0.49) | ADORA2AMKNK1MKNK2ADORA1ADORA2B | |
| SCHEMBL16654732 | 0.86 | AURKA (0.43) | PIK3CGBRAFPDE4APDE4BPDE4C | |
| SCHEMBL16654660 | 0.84 | PIK3CG (0.37) | ADORA2AMKNK1MKNK2PIK3CGADORA1 | |
| SCHEMBL16654143 | 0.84 | ADORA2A (0.39) | ADORA2ADPP4PIK3CGADORA1ADORA2B | |
| SCHEMBL16654286 | 0.84 | DHFR (0.37) | GAABTKPDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL16654631 | 0.83 | ADORA2A (0.39) | ADORA2ADPP4PIK3CGADORA1ADORA2B | |
| SCHEMBL16654151 | 0.83 | PIK3CD (0.49) | PIK3CGBTKPDE4APDE4BPDE4C | |
| SCHEMBL16654216 | 0.83 | NPY5R (0.36) | GAABTKGSK3BPDE4APDE4B | |
| SCHEMBL16654465 | 0.83 | PDE10A (0.37) | GAAPIK3CGBTKPDE4APDE4B |
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-3057970-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | Medivation Technologies, Inc. (US) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015058084-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | MEDIVATION TECHNOLOGIES, INC. (US) | 2015-04-23 | — | — | WO | disclosed |