Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 17/20 | 0.60 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.49 |
| ▸ | FEN1 | P39748 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5130828 | 0.86 | ADORA2B (0.66) | ADORA2BERCC5FEN1ALDH1A1CYP1A2 | |
| SCHEMBL18097392 | 0.80 | ADORA2B (0.75) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL5133763 | 0.79 | ADORA2B (0.62) | ADORA2BERCC5FEN1ALDH1A1CYP1A2 | |
| SCHEMBL18097144 | 0.77 | ADORA2B (0.62) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL18096905 | 0.76 | ADORA2B (1.00) | ADORA2B | |
| SCHEMBL16637896 | 0.75 | ADORA2B (0.69) | ADORA2BERCC5FEN1 | |
| SCHEMBL18080699 | 0.73 | ERCC5 (0.57) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL18096964 | 0.73 | ADORA2B (0.64) | ADORA2BERCC5FEN1 | |
| SCHEMBL18097827 | 0.72 | ADORA2B (0.62) | ADORA2BERCC5FEN1CYP1A2CYP3A4 | |
| SCHEMBL18096873 | 0.72 | ADORA2B (0.73) | ADORA2BERCC5FEN1CYP1A2CYP3A4 |
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-1989210-A2 | A2A ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007103776-A2 | A2A ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |