Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 13/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.45 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TEC | P42680 | 1/20 | 0.32 |
| ▸ | TXK | P42681 | 1/20 | 0.32 |
| ▸ | BMX | P51813 | 1/20 | 0.32 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL4013561 | 0.89 | ADORA2B (0.42) | ADORA2BADORA2AADORA1ADORA3LMNA | |
| SCHEMBL4320462 | 0.78 | ADORA2B (0.41) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL5608377 | 0.72 | ADORA2B (0.50) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL5685510 | 0.71 | ADORA2B (0.49) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL1720832 | 0.67 | ADORA2B (0.37) | ADORA2BMEN1KMT2A | |
| SCHEMBL30012217 | 0.67 | ADORA2B (0.71) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL1945569 | 0.65 | ADORA2B (0.78) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL1945936 | 0.62 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL15642930 | 0.61 | HCAR2 (0.43) | ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL18996851 | 0.60 | FFAR1 (0.47) | ADORA2BADORA2AADORA1ADORA3TRAP1 |
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-1622908-A1 | XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004106337-A1 | XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2004-12-09 | — | — | WO | disclosed |