Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4637292 | 0.89 | ADORA2B (0.53) | ADORA2BALDH1A1HSD17B10KDM4EMAPT | |
| SCHEMBL4636001 | 0.87 | MAOA (0.43) | ALDH1A1HTTMAPTTHRBLMNA | |
| SCHEMBL4636778 | 0.87 | ADORA2B (0.51) | ADORA2BALDH1A1HTTHSD17B10KDM4E | |
| SCHEMBL2542730 | 0.84 | ADORA2B (0.46) | ADORA2BBLM | |
| SCHEMBL4668176 | 0.81 | PDE5A (0.40) | ALDH1A1HTTMAPTTHRBLMNA | |
| SCHEMBL4636158 | 0.81 | ADORA1 (0.48) | ADORA2BCYP2C9 | |
| SCHEMBL2542959 | 0.76 | ADORA2A (0.43) | ADORA2B | |
| SCHEMBL4636790 | 0.76 | MAOB (0.47) | ADORA2BALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL2537917 | 0.76 | ADORA1 (0.45) | ADORA2BBLM | |
| SCHEMBL2540207 | 0.75 | ADORA1 (0.53) | ADORA2BHTT |
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 |