Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.60 |
| ▸ | BLM | P54132 | 2/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL44805 | 0.76 | ADORA2B (1.00) | ADORA2BBLMGLAADORA3ADORA2A | |
| SCHEMBL2570140 | 0.76 | ADORA2B (0.47) | ADORA2BBLMGLAADORA3ADORA2A | |
| SCHEMBL11304963 | 0.70 | MAPK1 (0.52) | ADORA2ALMNAPDE4APMP22 | |
| SCHEMBL2556027 | 0.70 | ADORA2B (0.40) | ADORA2BBLMGLAADORA2A | |
| SCHEMBL2546553 | 0.70 | ADORA2B (0.47) | ADORA2BBLMGLAADORA3ADORA2A | |
| SCHEMBL11305914 | 0.69 | ADORA2B (0.71) | ADORA2BBLMGLAADORA2ALMNA | |
| SCHEMBL11305917 | 0.69 | ADORA2B (0.52) | ADORA2BBLMGLAADORA3ADORA2A | |
| SCHEMBL11059115 | 0.68 | PDE4A (0.73) | ADORA2BBLMADORA2ALMNAESR1 | |
| SCHEMBL266179 | 0.68 | PDE4A (0.72) | ADORA2BBLMGLAADORA2ALMNA | |
| SCHEMBL4782546 | 0.68 | ADORA2B (0.34) | ADORA2BBLMGLAADORA3ADORA2A |
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-1939197-A1 | 8-ethinylxanthine derivatives as selective A2A receptor antagonists | SCHWARZ PHARMA AG (DE) | 2008-07-02 | — | — | EP | disclosed |