Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943564 | 0.90 | PDE4A (0.35) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL9904219 | 0.73 | EEF2K (0.34) | ADORA2BADORA2AMEN1KMT2A | |
| SCHEMBL1866393 | 0.72 | ADORA2B (0.44) | ADORA2BADORA2AKDM4EMEN1KMT2A | |
| SCHEMBL1871218 | 0.71 | ADORA2B (0.37) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL5584758 | 0.71 | ROCK1 (0.39) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL12079923 | 0.71 | ADORA1 (0.52) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL9943417 | 0.71 | EPHX2 (0.35) | KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL1724767 | 0.69 | KMT2A (0.44) | KDM4EMEN1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL9904241 | 0.68 | ALDH1A1 (0.44) | KDM4EMEN1KMT2AGLASMN1; SMN2 | |
| SCHEMBL4105083 | 0.68 | ADORA1 (0.41) | ADORA2BADORA2AADORA3KDM4EMEN1 |
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 |