Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 9/20 | 0.68 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.68 |
| ▸ | CDK1 | P06493 | 3/20 | 0.55 |
| ▸ | SRC | P12931 | 2/20 | 0.55 |
| ▸ | KDR | P35968 | 2/20 | 0.55 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.55 |
| ▸ | CDK7 | P50613 | 2/20 | 0.55 |
| ▸ | AURKA | O14965 | 1/20 | 0.55 |
| ▸ | INSR | P06213 | 1/20 | 0.55 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.55 |
| ▸ | FLT1 | P17948 | 1/20 | 0.55 |
| ▸ | FLT4 | P35916 | 1/20 | 0.55 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.55 |
| ▸ | CCND1 | P24385 | 7/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.53 |
| ▸ | CDK2 | P24941 | 4/20 | 0.53 |
| ▸ | CCND2 | P30279 | 4/20 | 0.53 |
| ▸ | CCND3 | P30281 | 4/20 | 0.53 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.53 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29368374 | 1.00 | CDK4 (0.68) | CDK4HDAC6CDK1SRCKDR | |
| SCHEMBL28687755 | 0.99 | CDK4 (0.69) | CDK4HDAC6CDK1SRCKDR | |
| SCHEMBL29370753 | 0.99 | CDK4 (0.69) | CDK4HDAC6CDK1SRCKDR | |
| SCHEMBL28716656 | 0.84 | CDK4 (0.83) | CDK4HDAC6AURKACCND1CCNE1 | |
| SCHEMBL29371706 | 0.83 | CDK4 (0.54) | CDK4HDAC6CDK1SRCKDR | |
| SCHEMBL28687081 | 0.83 | CDK4 (0.54) | CDK4HDAC6CDK1SRCKDR | |
| SCHEMBL28678982 | 0.82 | CDK2 (0.54) | CDK4HDAC6CDK1SRCKDR | |
| SCHEMBL29370779 | 0.82 | CDK2 (0.54) | CDK4HDAC6CDK1SRCKDR | |
| SCHEMBL28679677 | 0.81 | CSF1R (0.58) | CDK4HDAC6CDK1KDRCCND1 | |
| SCHEMBL28690412 | 0.80 | CDK2 (0.56) | CDK4HDAC6CDK1AURKACCNE1 |
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-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-A | Group of 2-phenylamino-4-triazolyl pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2022-02-01 | — | — | 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 |
| CN-113999210-A | Group of 2-phenylamino-4-triazolyl pyrimidine derivatives and application thereof | 郑州大学第一附属医院 | 2022-02-01 | — | — | CN | disclosed |