Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | JAK3 | P52333 | 13/20 | 0.42 |
| ▸ | JAK2 | O60674 | 9/20 | 0.42 |
| ▸ | JAK1 | P23458 | 8/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29005328 | 0.99 | CDK4 (0.49) | CDK4HDAC6JAK3JAK2JAK1 | |
| SCHEMBL30445224 | 0.98 | CDK4 (0.50) | CDK4HDAC6JAK3JAK2JAK1 | |
| SCHEMBL30445681 | 0.98 | CDK4 (0.49) | CDK4HDAC6JAK3JAK2JAK1 | |
| Ammonia Solution, Strong SCHEMBL29005349 | 0.86 | SYK (0.46) | MAP4K1CDK2SYK | |
| Ammonia Solution, Strong SCHEMBL29005368 | 0.85 | SYK (0.46) | JAK3JAK2JAK1MAP4K1CDK2 | |
| SCHEMBL30445973 | 0.84 | SYK (0.46) | MAP4K1SYK | |
| Ammonia Solution, Strong SCHEMBL29005333 | 0.83 | KCNH2 (0.50) | CDK4JAK3JAK2JAK1KCNH2 | |
| SCHEMBL30446102 | 0.83 | SYK (0.46) | JAK3JAK2JAK1MAP4K1SYK | |
| SCHEMBL30445086 | 0.82 | KCNH2 (0.50) | CDK4JAK3JAK2JAK1KCNH2 | |
| SCHEMBL28676987 | 0.80 | CDK4 (0.54) | CDK4HDAC6JAK2JAK1AURKA |
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-113999210-B | Group of 2-phenylamino-4-triazolyl pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2023-05-23 | — | — | CN | claimed |
| CN-113999210-B | Group of 2-phenylamino-4-triazolyl pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2023-05-23 | — | — | CN | disclosed |