Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 5/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5685358 | 0.89 | ADORA2B (0.45) | ADORA2BADORA2AADORA1ADORA3MEN1 | |
| SCHEMBL4320462 | 0.81 | ADORA2B (0.41) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL5608377 | 0.77 | ADORA2B (0.50) | ADORA2BADORA2AADORA1ADORA3HTT | |
| SCHEMBL5685510 | 0.74 | ADORA2B (0.49) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL1720832 | 0.70 | ADORA2B (0.37) | ADORA2BGSK3BMEN1KMT2AMAPT | |
| SCHEMBL1943365 | 0.67 | — | — | |
| SCHEMBL16099460 | 0.66 | ADORA2B (0.50) | ADORA2BADORA2AADORA1ADORA3MEN1 | |
| SCHEMBL15642930 | 0.64 | HCAR2 (0.43) | ADORA2BADORA2AADORA1ADORA3MAPT | |
| SCHEMBL1946781 | 0.62 | ADORA2B (0.67) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL6233162 | 0.62 | XDH (0.51) | ADORA2BGSK3BMAPTMAPK1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009157938-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR TREATING CANCER | CV THERAPEUTICS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |
| WO-2009088518-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER | CV THERAPEUTICS, INC. (US) | 2009-07-16 | — | — | WO | disclosed |