Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.33 |
| ▸ | PDE5A | O76074 | 4/20 | 0.33 |
| ▸ | PDE4A | P27815 | 4/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7944078 | 0.82 | PDE4B (0.42) | ADORA1ADORA2AADORA3PDE4BADORA2B | |
| SCHEMBL7947387 | 0.81 | ADORA1 (0.36) | ADORA1ADORA2AADORA3PDE4BADORA2B | |
| SCHEMBL3227759 | 0.81 | ALDH1A1 (0.39) | ADORA1ADORA2AADORA3ADORA2BHSP90AA1 | |
| SCHEMBL7944114 | 0.80 | PDE4B (0.48) | ADORA1ADORA2AADORA3PDE4BPDE4A | |
| SCHEMBL7947184 | 0.80 | CYP1A2 (0.45) | — | |
| SCHEMBL7946078 | 0.79 | ADORA1 (0.36) | ADORA1ADORA2AADORA3ADORA2BHSP90AA1 | |
| SCHEMBL7938177 | 0.78 | PDE4B (0.41) | ADORA2APDE4BPDE4APDE4CPDE4D | |
| SCHEMBL7949559 | 0.74 | ALDH1A1 (0.49) | ADORA2A | |
| SCHEMBL7946794 | 0.68 | ADORA1 (0.39) | ADORA1ADORA2AADORA3PDE4BADORA2B | |
| SCHEMBL3227758 | 0.66 | CYP1A2 (0.41) | ADORA1ADORA2A |
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-2010008775-A1 | AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |