Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.36 |
| ▸ | BRAF | P15056 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 3/20 | 0.33 |
| ▸ | CLK3 | P49761 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16654524 | 0.88 | ADORA2A (0.42) | BRAFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL16654930 | 0.85 | PIK3CD (0.49) | NPY5RPIK3CDBTK | |
| SCHEMBL16654380 | 0.82 | MKNK1 (0.37) | TLR7CYP11B1CYP11B2BACE1CYP1A2 | |
| SCHEMBL16654286 | 0.80 | DHFR (0.37) | PDE4APDE4BPDE4CPDE4DNPY5R | |
| SCHEMBL16654216 | 0.80 | NPY5R (0.36) | PDE4APDE4BPDE4CPDE4DNPY5R | |
| SCHEMBL16654151 | 0.80 | PIK3CD (0.49) | PDE4APDE4BPDE4CPDE4DNPY5R | |
| SCHEMBL16654465 | 0.80 | PDE10A (0.37) | PDE10APDE4APDE4BPDE4CPDE4D | |
| Hydrochloric Acid SCHEMBL16654320 | 0.79 | PIK3CD (0.48) | PDE4APDE4BPDE4CPDE4DNPY5R | |
| SCHEMBL16654732 | 0.78 | AURKA (0.43) | PDE10ABRAFPDE4APDE4BPDE4C | |
| SCHEMBL16654420 | 0.78 | ATR (0.35) | PIK3CD |
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 |