Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL4016181 | 0.85 | MEN1 (0.42) | ADORA2AADORA2BADORA1DPP4ADORA3 | |
| SCHEMBL4016883 | 0.85 | TPH1 (0.44) | ADORA2AADORA2BADORA1ADORA3GRIN1 | |
| SCHEMBL4293285 | 0.83 | BRD4 (0.39) | DPP4PARP1CCR2 | |
| SCHEMBL4283981 | 0.82 | TPH1 (0.34) | ADORA2AADORA2BADORA1DPP4PARP1 | |
| SCHEMBL1697141 | 0.81 | NR3C1 (0.39) | DPP4 | |
| SCHEMBL4014905 | 0.81 | PDE1C (0.37) | DPP4PARP1 | |
| SCHEMBL4016921 | 0.75 | ADORA2B (0.41) | ADORA2AADORA2BADORA1ADORA3PARP1 | |
| SCHEMBL5509419 | 0.74 | ADORA3 (0.44) | ADORA2AADORA2BADORA1ADORA3GRIN1 | |
| SCHEMBL5061625 | 0.74 | TPH1 (0.48) | ADORA2AADORA2BADORA1ADORA3GRIN1 | |
| SCHEMBL4019325 | 0.73 | LMNA (0.42) | PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009088518-A1 | A2B ADENOSINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CANCER | CV THERAPEUTICS, INC. (US) | 2009-07-16 | — | — | WO | disclosed |