Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | CDK1 | P06493 | 13/20 | 0.61 |
| ▸ | PRKCA | P17252 | 5/20 | 0.61 |
| ▸ | CLK1 | P49759 | 3/20 | 0.54 |
| ▸ | CLK2 | P49760 | 3/20 | 0.54 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.54 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.54 |
| ▸ | CDK2 | P24941 | 3/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.54 |
| ▸ | EGFR | P00533 | 2/20 | 0.54 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.54 |
| ▸ | CDK4 | P11802 | 1/20 | 0.54 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.54 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.54 |
| ▸ | CCND1 | P24385 | 1/20 | 0.54 |
| ▸ | CCND3 | P30281 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | CDK7 | P50613 | 1/20 | 0.54 |
| ▸ | CDK9 | P50750 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29444624 | 0.82 | NPC1 (0.74) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL3352454 | 0.82 | NPC1 (0.74) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5839571 | 0.81 | CDK1 (0.71) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5840861 | 0.80 | CDK1 (0.68) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5840505 | 0.80 | CDK1 (0.68) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5840839 | 0.78 | CDK1 (0.63) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5840319 | 0.78 | CDK1 (0.71) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5839913 | 0.78 | CDK1 (0.74) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL3346901 | 0.78 | NPC1 (1.00) | NPC1CDK1PRKCACLK1CLK2 | |
| SCHEMBL5839809 | 0.77 | CDK1 (0.75) | NPC1CDK1PRKCACLK1CLK2 |
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 4 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 |
| EP-0874846-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | Novartis AG (CH) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997016452-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1997-05-09 | — | — | WO | disclosed |