Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | GNRHR | P30968 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4764053 | 0.94 | ALDH1A1 (0.41) | ADORA2AADORA2BADORA1ALDH1A1MAPT | |
| SCHEMBL4769234 | 0.91 | NPBWR1 (0.41) | ADORA2AADORA2BADORA1GNRHRALDH1A1 | |
| SCHEMBL4767283 | 0.89 | ADORA2A (0.35) | ADORA2AADORA2BADORA1GNRHRALDH1A1 | |
| SCHEMBL4767273 | 0.89 | ADORA2A (0.35) | ADORA2AADORA2BADORA1GNRHRALDH1A1 | |
| SCHEMBL4771562 | 0.88 | ADORA2A (0.39) | ADORA2AADORA2BADORA1ALDH1A1MAPK1 | |
| SCHEMBL4771574 | 0.88 | ADORA2A (0.39) | ADORA2AADORA2BADORA1ALDH1A1MAPK1 | |
| SCHEMBL4763418 | 0.88 | ADORA2A (0.39) | ADORA2AADORA2BADORA1ALDH1A1MAPK1 | |
| SCHEMBL4763420 | 0.88 | ADORA2A (0.39) | ADORA2AADORA2BADORA1ALDH1A1MAPK1 | |
| SCHEMBL4767719 | 0.88 | ADORA2B (0.45) | ADORA2AADORA2BADORA1GNRHRALDH1A1 | |
| SCHEMBL4767733 | 0.88 | ADORA2B (0.45) | ADORA2AADORA2BADORA1GNRHRALDH1A1 |
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 |