Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCK | P35557 | 4/20 | 0.44 |
| ▸ | BRAF | P15056 | 5/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 3/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28026579 | 1.00 | GCK (0.44) | GCKBRAFHDAC1HDAC3HDAC4 | |
| SCHEMBL27711531 | 0.85 | SMN1; SMN2 (0.44) | GCKGRM4CARM1PRMT6MET | |
| SCHEMBL31465417 | 0.85 | KDM4E (0.40) | GCKGRM4CARM1PRMT6MET | |
| SCHEMBL31255792 | 0.85 | GCK (0.41) | GCKBRAFHDAC1HDAC3HDAC4 | |
| SCHEMBL29614703 | 0.82 | MEN1 (0.45) | BRAFHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL4252286 | 0.82 | MEN1 (0.45) | BRAFHDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL30834059 | 0.78 | GCK (0.38) | GCKCARM1PRMT6METSCN9A | |
| SCHEMBL29396481 | 0.77 | KDR (0.58) | BRAFMETKDR | |
| SCHEMBL400592 | 0.77 | KDR (0.58) | BRAFMETKDR | |
| Water SCHEMBL2991434 | 0.76 | KDR (0.57) | BRAFMETKDR |
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-117820217-A | Synthesis method of regorafenib key intermediate | 南京亿华药业有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-117820217-A | Synthesis method of regorafenib key intermediate | 南京亿华药业有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-114920689-B | Preparation method of regorafenib intermediate | 石药集团中奇制药技术（石家庄）有限公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-116203178-A | Method for detecting genotoxic impurities in regorafenib intermediate by UPLC-MS/MS | 上海博悦生物科技有限公司 | 2023-06-02 | — | — | CN | disclosed |