Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 19/20 | 1.00 |
| ▸ | PRKCA | P17252 | 5/20 | 0.69 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5839600 | 0.99 | CDK1 (1.00) | CDK1PRKCA | |
| SCHEMBL5842067 | 0.91 | CDK1 (0.84) | CDK1PRKCA | |
| SCHEMBL5840478 | 0.89 | CDK1 (0.81) | CDK1PRKCABCDIN3D | |
| SCHEMBL5839924 | 0.89 | CDK1 (1.00) | CDK1PRKCA | |
| SCHEMBL5840411 | 0.88 | CDK1 (1.00) | CDK1PRKCA | |
| Hydrochloric Acid SCHEMBL5839534 | 0.87 | CDK1 (1.00) | CDK1PRKCA | |
| SCHEMBL5840267 | 0.83 | CDK1 (0.82) | CDK1PRKCABCDIN3D | |
| Hydrochloric Acid SCHEMBL5840096 | 0.83 | CDK1 (0.73) | CDK1PRKCA | |
| SCHEMBL5839982 | 0.82 | CDK1 (0.71) | CDK1PRKCA | |
| SCHEMBL5839393 | 0.82 | CDK1 (1.00) | CDK1PRKCABCDIN3D |
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 |
|---|---|---|---|---|---|---|---|
| US-7091346-B1 | Purine derivatives and processes for their preparation | NOVARTIS AG (CH) | 2006-08-15 | — | — | US | disclosed |
| EP-0874846-B1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-04-02 | — | — | EP | disclosed |