Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 14/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9904030 | 0.88 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL18113976 | 0.79 | ADORA2B (0.48) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL18107115 | 0.76 | ADORA2B (0.34) | ADORA2BADORA3ADORA2A | |
| SCHEMBL538419 | 0.76 | ADORA2B (0.57) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL9903998 | 0.76 | SIRT1 (0.60) | ADORA2BADORA3ADORA2AADORA1 | |
| SCHEMBL2551065 | 0.74 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL2547498 | 0.73 | ADORA2B (0.47) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL4636788 | 0.73 | ADORA2B (0.50) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL6033611 | 0.72 | ADORA2B (0.52) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL14142760 | 0.70 | ADORA2B (0.57) | ADORA2BADORA3ADORA2APDE4APDE4B |
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-2465859-A1 | 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists | Life & Brain GmbH (DE) | 2012-06-20 | — | — | EP | disclosed |
| WO-2012076974-A1 | 8-TRIAZOLYLXANTHINE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS | LIFE & BRAIN GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |