Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4637264 | 0.88 | MAOB (0.47) | ALDH1A1MAOBADORA3MAPTPKM | |
| SCHEMBL2540207 | 0.87 | ADORA1 (0.53) | ADORA2BHTTMAOBADORA3 | |
| SCHEMBL4670514 | 0.87 | ADORA2B (0.56) | ADORA2BALDH1A1HTTPOLBMAPT | |
| SCHEMBL4637292 | 0.86 | ADORA2B (0.53) | ADORA2BALDH1A1MAOBMAPTKDM4E | |
| SCHEMBL2537627 | 0.85 | ADORA1 (0.57) | ADORA2BMAOB | |
| SCHEMBL4636116 | 0.85 | MAOB (0.57) | ALDH1A1HTTMAOBTHRBPKM | |
| SCHEMBL4636181 | 0.82 | ADORA2A (0.55) | ADORA2BMAOBADORA3 | |
| SCHEMBL2537917 | 0.81 | ADORA1 (0.45) | ADORA2BMAOBBLM | |
| SCHEMBL2548492 | 0.80 | ADORA1 (0.57) | ADORA2BMAOBADORA3 | |
| SCHEMBL2539378 | 0.80 | ADORA1 (0.56) | ADORA2BMAOBADORA3 |
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 |