Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.44 |
| ▸ | PDE8B | O95263 | 9/20 | 0.43 |
| ▸ | PDE8A | O60658 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13347013 | 0.82 | CDK1 (0.41) | ADORA2APDE8BADORA3CDK1 | |
| SCHEMBL10307719 | 0.79 | CA12 (0.33) | — | |
| SCHEMBL21159333 | 0.78 | PDE8B (0.43) | ADORA1ADORA2APDE8BPDE8AADORA2B | |
| SCHEMBL14134555 | 0.76 | PDE8B (0.43) | ADORA1ADORA2APDE8BPDE8AADORA2B | |
| SCHEMBL26533052 | 0.76 | PDE8B (0.41) | ADORA1ADORA2APDE8BPDE8AADORA2B | |
| SCHEMBL21138202 | 0.76 | PDE8B (0.41) | ADORA1ADORA2APDE8BPDE8AADORA2B | |
| SCHEMBL13788521 | 0.71 | TP53 (0.30) | — | |
| SCHEMBL21138214 | 0.70 | PDE8B (0.51) | ADORA1ADORA2APDE8BADORA3 | |
| SCHEMBL21183232 | 0.69 | DYRK1A (0.38) | ADORA1ADORA2A | |
| SCHEMBL13335021 | 0.69 | ADORA1 (0.57) | ADORA1ADORA2APDE8BADORA2BADORA3 |
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-2018038265-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2018-03-01 | — | — | WO | disclosed |