Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 13/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | PKLR | P30613 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4762305 | 0.92 | ADORA2B (0.39) | ADORA2BADORA2AADORA1ADORA3PKM | |
| SCHEMBL4762309 | 0.92 | ADORA2B (0.39) | ADORA2BADORA2AADORA1ADORA3PKM | |
| SCHEMBL4764017 | 0.91 | ADORA2B (0.40) | ADORA2BADORA2AADORA1ADORA3ALDH1A1 | |
| SCHEMBL4763491 | 0.89 | ADORA2B (0.42) | ADORA2BADORA2AADORA1PKMPKLR | |
| SCHEMBL4763488 | 0.89 | ADORA2B (0.42) | ADORA2BADORA2AADORA1PKMPKLR | |
| SCHEMBL4767738 | 0.87 | ADORA2B (0.41) | ADORA2BADORA2AADORA1ADORA3PKM | |
| SCHEMBL4767746 | 0.87 | ADORA2B (0.41) | ADORA2BADORA2AADORA1ADORA3PKM | |
| SCHEMBL4771531 | 0.86 | ADORA2B (0.38) | ADORA2BADORA2AADORA1ADORA3PKM | |
| SCHEMBL4771549 | 0.86 | ADORA2B (0.38) | ADORA2BADORA2AADORA1ADORA3PKM | |
| SCHEMBL4865963 | 0.85 | ADORA2B (0.45) | ADORA2BADORA2AADORA1ADORA3PKM |
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-1678181-B1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-12-31 | — | — | EP | disclosed |