Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCND1 | P24385 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | EIF2AK3 | Q9NZJ5 | 2/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 3/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22509235 | 1.00 | GSK3B (0.44) | GSK3BIGF1RCDK1CDK4CCNB1 | |
| SCHEMBL30705252 | 0.80 | GSK3B (0.49) | GSK3BIGF1RCDK5KDM4EALDH1A1 | |
| SCHEMBL22509188 | 0.80 | GSK3B (0.49) | GSK3BIGF1RCDK5KDM4EALDH1A1 | |
| SCHEMBL22509195 | 0.76 | GSK3B (0.44) | GSK3BIGF1RCDK1CDK4CCNB1 | |
| SCHEMBL30705248 | 0.76 | GSK3B (0.44) | GSK3BIGF1RCDK1CDK4CCNB1 | |
| SCHEMBL24240371 | 0.75 | GSK3B (0.34) | GSK3BIGF1RCDK1CCNB1CDK2 | |
| SCHEMBL30705246 | 0.75 | GSK3B (0.46) | GSK3BIGF1RCDK1CCNB1CDK2 | |
| SCHEMBL22509160 | 0.75 | GSK3B (0.46) | GSK3BIGF1RCDK1CCNB1CDK2 | |
| SCHEMBL24240392 | 0.73 | CCNT1 (0.36) | GSK3BCDK1CCNB1CDK2CDK5 | |
| SCHEMBL30705245 | 0.73 | CCNT1 (0.36) | GSK3BCDK1CCNB1CDK2CDK5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111747950-B | Pyrimidine derivatives for the treatment of cancer | 深圳福沃药业有限公司 | 2024-01-23 | — | — | CN | disclosed |