Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 12/20 | 0.83 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.83 |
| ▸ | CCND3 | P30281 | 8/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 2/20 | 0.43 |
| ▸ | CCND1 | P24385 | 3/20 | 0.42 |
| ▸ | CCND2 | P30279 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.41 |
| ▸ | CSF1R | P07333 | 2/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28701859 | 0.91 | HDAC6 (1.00) | CDK4HDAC6CCND3AURKASYK | |
| SCHEMBL28701854 | 0.90 | HDAC6 (0.99) | CDK4HDAC6CCND3AURKASYK | |
| SCHEMBL28714820 | 0.89 | CDK4 (0.75) | CDK4HDAC6CCND3AURKASYK | |
| SCHEMBL28714706 | 0.87 | HDAC6 (0.63) | CDK4HDAC6CCND3AURKASYK | |
| SCHEMBL28714813 | 0.86 | HDAC6 (0.62) | CDK4HDAC6CCND3AURKASYK | |
| SCHEMBL28714701 | 0.86 | CDK4 (0.62) | CDK4HDAC6SYKBRD4JAK2 | |
| SCHEMBL28707536 | 0.86 | CDK4 (0.61) | CDK4HDAC6CCND3SYKJAK2 | |
| SCHEMBL28936880 | 0.85 | CDK4 (0.61) | CDK4HDAC6CCND3SYKJAK2 | |
| SCHEMBL30075161 | 0.85 | CDK4 (0.61) | CDK4HDAC6CCND3SYKJAK2 | |
| SCHEMBL28687755 | 0.85 | CDK4 (0.69) | CDK4HDAC6CCND3AURKACCND1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114105958-B | Hydroximic acid-containing 2-phenylamino pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2022-11-22 | — | — | CN | disclosed |
| CN-114105958-A | Hydroximic acid-containing 2-phenylamino pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2022-03-01 | — | — | CN | disclosed |