Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3269823 | 0.90 | ADORA2A (0.67) | ADORA2AADORA1 | |
| SCHEMBL3269889 | 0.89 | ADORA2A (0.65) | ADORA2AADORA1 | |
| SCHEMBL3274418 | 0.88 | ADORA2A (0.58) | ADORA2AADORA1 | |
| SCHEMBL3275259 | 0.87 | ADORA2A (0.70) | ADORA2AADORA1 | |
| SCHEMBL3270073 | 0.85 | ADORA2A (0.60) | ADORA2AADORA1 | |
| SCHEMBL3269070 | 0.83 | ADORA2A (0.67) | ADORA2AADORA1KMT2A | |
| SCHEMBL3269210 | 0.83 | ADORA2A (0.57) | ADORA2AADORA1 | |
| SCHEMBL3269452 | 0.83 | ADORA2A (0.63) | ADORA2AADORA1 | |
| SCHEMBL3269023 | 0.81 | ADORA2A (0.59) | ADORA2AADORA1 | |
| SCHEMBL3268791 | 0.81 | ADORA2A (0.58) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1349857-B1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RES LTD (GB) | 2010-06-16 | — | — | EP | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |
| US-7452894-B2 | Purine derivatives as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2008-11-18 | — | — | US | disclosed |