Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 9/20 | 0.53 |
| ▸ | RAF1 | P04049 | 6/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | BRAF | P15056 | 7/20 | 0.47 |
| ▸ | CSF1R | P07333 | 3/20 | 0.47 |
| ▸ | ABL1 | P00519 | 4/20 | 0.45 |
| ▸ | GCK | P35557 | 1/20 | 0.45 |
| ▸ | HIPK4 | Q8NE63 | 4/20 | 0.44 |
| ▸ | RET | P07949 | 3/20 | 0.44 |
| ▸ | EPHA2 | P29317 | 3/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.44 |
| ▸ | MAP3K20 | Q9NYL2 | 3/20 | 0.44 |
| ▸ | PLK4 | O00444 | 2/20 | 0.44 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 2/20 | 0.44 |
| ▸ | FYN | P06241 | 2/20 | 0.44 |
| ▸ | LYN | P07948 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427439 | 0.88 | KDR (0.50) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL6427214 | 0.86 | KDR (0.59) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL6426864 | 0.85 | KDR (0.50) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL6387886 | 0.85 | KDR (0.50) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL12355376 | 0.83 | KDR (0.50) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL12355379 | 0.83 | KDR (0.50) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL30306976 | 0.83 | KDR (0.54) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL2029492 | 0.83 | KDR (0.54) | KDRRAF1EPHX2BRAFCSF1R | |
| SCHEMBL6478594 | 0.82 | GCK (0.51) | KDRRAF1EPHX2BRAFABL1 | |
| SCHEMBL29186383 | 0.81 | RAF1 (0.49) | KDRRAF1EPHX2BRAFCSF1R |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117285460-A | Method for preparing regorafenib intermediate by using continuous flow reaction technology | 重庆药友制药有限责任公司 | 2023-12-26 | — | — | CN | disclosed |