Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.64 |
| ▸ | BLM | P54132 | 2/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | PDE4A | P27815 | 4/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18256593 | 0.82 | ADORA2B (0.58) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL44805 | 0.79 | ADORA2B (1.00) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL16192700 | 0.77 | ADORA2B (0.68) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL10395324 | 0.76 | HTR2A (0.64) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL316760 | 0.76 | ADORA2B (1.00) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL316930 | 0.70 | ADORA2B (0.62) | ADORA2BBLMGLAPDE4AADORA2A | |
| Fluoride SCHEMBL30358487 | 0.70 | ADORA2A (0.85) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL9120454 | 0.69 | ADORA2B (0.57) | ADORA2BBLMGLAPDE4AADORA2A | |
| SCHEMBL316911 | 0.68 | PDE4A (1.00) | ADORA2BBLMPDE4AADORA2APDE4B | |
| SCHEMBL4651994 | 0.68 | ADORA2A (0.88) | ADORA2BBLMGLAPDE4AADORA2A |
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 |