Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.55 |
| ▸ | PDE4A | P27815 | 5/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.45 |
| ▸ | PDE5A | O76074 | 3/20 | 0.44 |
| ▸ | PDE1A | P54750 | 3/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9738116 | 0.83 | ADORA2A (0.60) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL3269795 | 0.79 | ADORA2A (0.64) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL9738574 | 0.79 | ADORA2A (0.66) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL11014088 | 0.76 | PDE4A (0.61) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL3269162 | 0.74 | ADORA2A (0.60) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL3268278 | 0.74 | ADORA2A (0.60) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL9739023 | 0.74 | PDE4A (0.72) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL3268280 | 0.74 | ADORA2A (0.57) | ADORA2AADORA1PDE4APDE4BPDE4C | |
| SCHEMBL3269399 | 0.71 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3272538 | 0.71 | ADORA2A (0.56) | ADORA2AADORA1PDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| CN-1617871-A | Purine derivatives as purinergic receptor antagonists | VERNALIS RES LTD (GB) | 2005-05-18 | — | — | CN | disclosed |