Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 13/20 | 0.67 |
| ▸ | PRKCA | P17252 | 5/20 | 0.67 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.60 |
| ▸ | CLK1 | P49759 | 3/20 | 0.60 |
| ▸ | CLK2 | P49760 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.60 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.60 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.60 |
| ▸ | CDK2 | P24941 | 3/20 | 0.60 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.60 |
| ▸ | EGFR | P00533 | 2/20 | 0.60 |
| ▸ | CDK4 | P11802 | 2/20 | 0.60 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.60 |
| ▸ | CCND1 | P24385 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL5840147 | 0.85 | CDK1 (0.74) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL5840894 | 0.83 | CDK1 (0.72) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL8710243 | 0.83 | CDK5 (0.78) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL5841668 | 0.83 | CDK5 (0.78) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL5840882 | 0.83 | CDK1 (0.72) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL8706894 | 0.83 | CDK5 (0.78) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL5840126 | 0.83 | CDK1 (0.71) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL5840584 | 0.82 | CDK1 (0.76) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL5841700 | 0.82 | CDK1 (0.76) | CDK1PRKCACCNB1CLK1CLK2 | |
| SCHEMBL8712255 | 0.82 | CDK1 (0.76) | CDK1PRKCACCNB1CLK1CLK2 |
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 |