Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.48 |
| ▸ | CDK1 | P06493 | 4/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.48 |
| ▸ | GSK3B | P49841 | 4/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.48 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.48 |
| ▸ | DHPS | P49366 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | DRD3 | P35462 | 3/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19938 | 0.80 | CDK5 (0.54) | KDRCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL29444532 | 0.80 | CDK5 (0.54) | KDRCCNB2CDK1CCNB1GSK3B | |
| SCHEMBL6585119 | 0.71 | ADRA2A (0.50) | DHPSJAK2LMNACYP2D6CYP2C9 | |
| SCHEMBL6585117 | 0.71 | DHPS (0.47) | CCNB2CDK1CCNB1GSK3BCDK5 | |
| SCHEMBL13135985 | 0.71 | DHPS (0.64) | DHPSDRD2DRD4DRD3KDM4E | |
| SCHEMBL10809901 | 0.71 | DHPS (0.74) | KDRDHPSCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1335946 | 0.70 | ALDH1A1 (0.54) | CXCR2LMNAMEN1NPC1ALDH1A1 | |
| SCHEMBL1233895 | 0.69 | DHPS (0.45) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL837797 | 0.69 | DHPS (0.51) | DHPSAHRPDK2DRD2DRD4 | |
| SCHEMBL29732360 | 0.68 | NPC1 (0.50) | CCNB2CDK1CCNB1GSK3BCDK5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101466678-B | Substituted 3-cyanopyridines as protein kinase inhibitors | WYETH CORP | 2012-12-26 | — | — | CN | claimed |
| CN-101466678-A | Substituted 3-cyanopyridines as protein kinase inhibitors | WYETH CORP (US) | 2009-06-24 | — | — | CN | claimed |
| CN-101466678-B | Substituted 3-cyanopyridines as protein kinase inhibitors | WYETH CORP | 2012-12-26 | — | — | CN | disclosed |
| CN-101466678-A | Substituted 3-cyanopyridines as protein kinase inhibitors | WYETH CORP (US) | 2009-06-24 | — | — | CN | disclosed |