Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | RAF1 | P04049 | 4/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | BRAF | P15056 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | CDK8 | P49336 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL875004 | 1.00 | AR (0.46) | ARCHEK2KIF11RAF1KDR | |
| SCHEMBL24181308 | 0.85 | KIF11 (0.50) | ARKIF11ALDH1A1PARP10PARP3 | |
| SCHEMBL876324 | 0.84 | AR (0.46) | ARCHEK2RAF1KDRBRAF | |
| SCHEMBL29984723 | 0.84 | AR (0.46) | ARCHEK2RAF1KDRBRAF | |
| SCHEMBL883449 | 0.84 | CHEK2 (0.46) | ARCHEK2RAF1KDRBRAF | |
| SCHEMBL9101725 | 0.83 | SCN9A (0.47) | ARKIF11RAF1KDRBRAF | |
| SCHEMBL876289 | 0.83 | CHEK2 (0.47) | ARCHEK2RAF1KDRBRAF | |
| SCHEMBL1283899 | 0.83 | KIF11 (0.51) | ARKIF11KDRBRAFCDK8 | |
| SCHEMBL9103130 | 0.82 | PLA2G7 (0.47) | SCN9A | |
| SCHEMBL29851798 | 0.82 | PLA2G7 (0.47) | SCN9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114057740-B | Spiropyrimidinone derivatives, method for the production thereof, pharmaceutical compositions and use thereof | 上海赛默罗生物科技有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115925721-A | Pyrimidone tricyclic derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115304620-A | Pyrimidone derivatives, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2022-11-08 | — | — | CN | disclosed |