Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL1946777 | 0.76 | ALDH1A1 (0.50) | CDK1CDK4CDK2CASP6 | |
| SCHEMBL1943825 | 0.72 | CASP6 (0.33) | CDK1CDK4CDK2CASP6 | |
| SCHEMBL1947071 | 0.72 | POLB (0.35) | CDK1CDK4CDK2CASP6 | |
| SCHEMBL1945486 | 0.72 | CDK1 (0.31) | CDK1CDK4CDK2 | |
| SCHEMBL1944878 | 0.72 | MAPT (0.42) | CDK1CDK4CDK2CASP6 | |
| SCHEMBL1546118 | 0.71 | ALDH1A1 (0.49) | — | |
| SCHEMBL1546666 | 0.69 | MAPT (0.45) | CASP6 | |
| SCHEMBL1945401 | 0.68 | ADORA3 (0.46) | — | |
| SCHEMBL1546783 | 0.68 | ALDH1A1 (0.42) | — | |
| SCHEMBL1945124 | 0.67 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1622908-B1 | XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-08-06 | — | — | EP | disclosed |