Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 19/20 | 0.55 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.53 |
| ▸ | PDE4A | P27815 | 2/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9904065 | 0.88 | ADORA2B (0.53) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL27302135 | 0.79 | ADORA2B (0.60) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL27206789 | 0.78 | ADORA2B (0.59) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL18113976 | 0.77 | ADORA2B (0.48) | ADORA2BADORA2AADORA3KDM4EMEN1 | |
| SCHEMBL2958489 | 0.77 | ADORA2B (0.58) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL18107115 | 0.74 | ADORA2B (0.34) | ADORA2BADORA2AADORA3 | |
| SCHEMBL2547498 | 0.74 | ADORA2B (0.47) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL27499964 | 0.74 | ADORA2B (0.62) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL7617175 | 0.72 | ADORA2B (0.61) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL7618347 | 0.72 | ADORA2B (0.61) | ADORA2BADORA2AADORA3PDE4APDE4B |
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 |