Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 20/20 | 0.75 |
| ▸ | ADORA2A | P29274 | 19/20 | 0.75 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.75 |
| ▸ | ADORA3 | P0DMS8 | 16/20 | 0.75 |
| ▸ | PLK4 | O00444 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.51 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.51 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.51 |
| ▸ | CSNK1G3 | Q9Y6M4 | 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 | |
|---|---|---|---|---|
| SCHEMBL12003176 | 0.88 | ADORA2B (0.74) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL9903991 | 0.88 | ADORA2A (0.72) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL9904021 | 0.87 | ADORA2B (0.60) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL243681 | 0.86 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL9904195 | 0.83 | ADORA2B (0.73) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL9904089 | 0.81 | ADORA2B (0.55) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL1546818 | 0.78 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL9904084 | 0.77 | ADORA2B (0.73) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL9903992 | 0.77 | ADORA2B (0.72) | ADORA2BADORA2AADORA1ADORA3PLK4 | |
| SCHEMBL1545982 | 0.75 | ADORA2A (1.00) | ADORA2BADORA2AADORA1ADORA3 |
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 5 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 | claimed |
| 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 | claimed |
| 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 |
| 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 |