Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 13/20 | 1.00 |
| ▸ | PRKCA | P17252 | 3/20 | 0.83 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.76 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.76 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.76 |
| ▸ | EGFR | P00533 | 2/20 | 0.73 |
| ▸ | CCNE1 | P24864 | 6/20 | 0.72 |
| ▸ | CDK2 | P24941 | 6/20 | 0.72 |
| ▸ | PDGFRA | P16234 | 5/20 | 0.72 |
| ▸ | CLK1 | P49759 | 3/20 | 0.70 |
| ▸ | CLK2 | P49760 | 3/20 | 0.70 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.70 |
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.70 |
| ▸ | CDK4 | P11802 | 1/20 | 0.70 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.70 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.70 |
| ▸ | CCND1 | P24385 | 1/20 | 0.70 |
| ▸ | CCND3 | P30281 | 1/20 | 0.70 |
| ▸ | MTOR | P42345 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL5840026 | 0.92 | CDK1 (0.85) | CDK1PRKCACCNB1CCNB2CCNB3 | |
| SCHEMBL8707068 | 0.91 | CDK1 (1.00) | CDK1PRKCACCNB1EGFRCCNE1 | |
| SCHEMBL5840733 | 0.91 | CDK1 (1.00) | CDK1PRKCACCNB1EGFRCCNE1 | |
| SCHEMBL5839422 | 0.91 | CDK1 (1.00) | CDK1PRKCACCNB1EGFRCCNE1 | |
| SCHEMBL6574952 | 0.91 | CDK1 (0.83) | CDK1PRKCACCNB1CCNB2CCNB3 | |
| SCHEMBL6574948 | 0.91 | CDK1 (0.83) | CDK1PRKCACCNB1CCNB2CCNB3 | |
| SCHEMBL5839900 | 0.91 | CDK1 (0.83) | CDK1PRKCACCNB1CCNB2CCNB3 | |
| SCHEMBL7203083 | 0.89 | CDK1 (1.00) | CDK1PRKCACCNB1CCNB2CCNB3 | |
| SCHEMBL5840484 | 0.89 | CDK1 (1.00) | CDK1PRKCACCNB1CCNB2CCNB3 | |
| SCHEMBL6574699 | 0.89 | CDK1 (0.79) | CDK1PRKCACCNB1CCNB2CCNB3 |
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 |