Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL4636181 | 0.94 | ADORA2A (0.55) | MAOBADORA2AADORA1ADORA3 | |
| SCHEMBL2537627 | 0.89 | ADORA1 (0.57) | MAOBADORA2AADORA1 | |
| SCHEMBL4636778 | 0.88 | ADORA2B (0.51) | MAOBMAOAPKMMAPTADORA3 | |
| SCHEMBL4636116 | 0.88 | MAOB (0.57) | MAOBMAOAPKMNCOA1NCOA3 | |
| SCHEMBL2538825 | 0.86 | ADORA1 (0.53) | MAOBADORA2AADORA1ADORA3 | |
| SCHEMBL4635978 | 0.86 | ADORA1 (0.55) | MAOBADORA2AADORA1ADORA3 | |
| SCHEMBL4636001 | 0.86 | MAOA (0.43) | MAOBMAOAPKMMAPTADORA1 | |
| SCHEMBL4636790 | 0.85 | MAOB (0.47) | MAOBADORA2AMAOAALDH1A1HIF1A | |
| SCHEMBL2548492 | 0.83 | ADORA1 (0.57) | MAOBADORA2AADORA1ADORA3 | |
| SCHEMBL2539378 | 0.83 | ADORA1 (0.56) | MAOBADORA2AADORA1ADORA3 |
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 |