Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597238 | 0.91 | ADORA3 (0.44) | ADORA2AADORA2BADORA1ADORA3MAPT | |
| SCHEMBL5597387 | 0.90 | ADORA2A (0.39) | ADORA2AADORA2BADORA1ADORA3MAPT | |
| SCHEMBL1546111 | 0.77 | ADORA2A (0.55) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL5054303 | 0.72 | ADORA2B (0.42) | ADORA2AADORA2BADORA1ADORA3MAPT | |
| SCHEMBL1546006 | 0.69 | ADORA2B (0.57) | ADORA2AADORA2BADORA1ADORA3 | |
| SCHEMBL1546706 | 0.69 | ADORA2B (0.49) | ADORA2AADORA2BADORA1ADORA3TP53 | |
| SCHEMBL1546538 | 0.68 | ADORA2A (0.51) | ADORA2AADORA2BADORA1ADORA3MAPT | |
| SCHEMBL6856480 | 0.67 | HCAR2 (0.54) | PARP1 | |
| SCHEMBL1546772 | 0.66 | KLKB1 (0.49) | ADORA2AADORA2BADORA1ADORA3BRD4 | |
| SCHEMBL1546750 | 0.66 | ADORA2B (0.52) | ADORA2AADORA2BADORA1ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1996201-A2 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007109547-A2 | METHOD OF PREVENTING AND TREATING HEPATIC DISEASE USING A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-09-27 | — | — | WO | disclosed |