Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6939895 | 0.74 | ADORA2A (0.75) | ADORA2AADORA1XDH | |
| SCHEMBL5462775 | 0.69 | ADORA2A (0.79) | ADORA2AADORA1 | |
| SCHEMBL6944247 | 0.69 | ADORA2A (0.53) | ADORA2AADORA1PIK3R1PIK3CA | |
| SCHEMBL3269621 | 0.68 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL3269358 | 0.65 | ADORA2A (0.82) | ADORA2AADORA1 | |
| SCHEMBL5451859 | 0.65 | ADORA2A (0.70) | ADORA2AADORA1PI4KAPI4K2BPI4K2A | |
| SCHEMBL3267606 | 0.64 | ADORA2A (0.56) | ADORA2AADORA1 | |
| SCHEMBL3273422 | 0.63 | ADORA2A (0.83) | ADORA2AADORA1 | |
| SCHEMBL1653877 | 0.63 | ADORA2A (0.77) | ADORA2AADORA1 | |
| SCHEMBL3268990 | 0.62 | CCNE1 (0.45) | ADORA2AADORA1 |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |