Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 18/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 17/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | PLK4 | O00444 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.50 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.50 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.50 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9904195 | 0.87 | ADORA2B (0.73) | ADORA2BADORA1ADORA2AADORA3PLK4 | |
| SCHEMBL10104773 | 0.82 | ADORA2A (0.51) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL1944369 | 0.75 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3PLK4 | |
| SCHEMBL9903992 | 0.73 | ADORA2B (0.72) | ADORA2BADORA1ADORA2AADORA3PLK4 | |
| SCHEMBL1945592 | 0.73 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3PLK4 | |
| SCHEMBL9903991 | 0.72 | ADORA2A (0.72) | ADORA2BADORA1ADORA2AADORA3PLK4 | |
| SCHEMBL1947425 | 0.71 | ADORA2A (1.00) | ADORA2BADORA1ADORA2AADORA3 | |
| SCHEMBL1944742 | 0.71 | ADORA2B (1.00) | ADORA2BADORA1ADORA2AADORA3PLK4 | |
| SCHEMBL9904021 | 0.71 | ADORA2B (0.60) | ADORA2BADORA1ADORA2AADORA3PLK4 | |
| SCHEMBL9904033 | 0.70 | ADORA2B (0.75) | ADORA2BADORA1ADORA2AADORA3PLK4 |
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 1 patent. 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 |