Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | TTK | P33981 | 2/20 | 0.44 |
| ▸ | IGF1R | P08069 | 3/20 | 0.43 |
| ▸ | INSR | P06213 | 3/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | GALR2 | O43603 | 1/20 | 0.40 |
| ▸ | GALR1 | P47211 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5145370 | 0.86 | CDK2 (0.45) | CDK2CDK9CDK5TTKIGF1R | |
| SCHEMBL5134247 | 0.84 | CDK2 (0.52) | CHEK1CDK2CDK9CDK5IGF1R | |
| SCHEMBL221344 | 0.82 | NOS1 (0.65) | CHEK1NOS3NOS1NOS2TTK | |
| SCHEMBL5140699 | 0.81 | NOS3 (0.53) | CHEK1NOS3NOS1NOS2TTK | |
| SCHEMBL16241884 | 0.78 | CHEK1 (0.48) | CHEK1CDK2NOS3NOS1NOS2 | |
| SCHEMBL221859 | 0.77 | NOS1 (0.57) | CHEK1CDK2NOS3NOS1NOS2 | |
| SCHEMBL27981858 | 0.76 | CHEK1 (0.45) | CHEK1NOS3NOS1NOS2IGF1R | |
| SCHEMBL3546662 | 0.75 | INSR (0.47) | CHEK1TTKIGF1RINSRALK | |
| SCHEMBL422148 | 0.74 | NOS3 (0.47) | CHEK1NOS3NOS1NOS2PDE3B | |
| SCHEMBL424370 | 0.74 | NOS1 (0.54) | CHEK1NOS3NOS1NOS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1877054-A2 | NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF | Sirtris Pharmaceuticals, Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006105440-A2 | NICOTINAMIDE RIBOSIDE AND ANALOGUES THEREOF | SIRTRIS PHARMACEUTICALS, INC. (US) | 2006-10-05 | — | — | WO | disclosed |