Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE2 | O96020 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 5/20 | 0.36 |
| ▸ | FLT1 | P17948 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17805401 | 0.87 | TAS2R14 (0.48) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL19287089 | 0.79 | KIF11 (0.50) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL23974730 | 0.79 | CCNE2 (0.41) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL30750830 | 0.79 | RAPGEF4 (0.40) | RAPGEF4KIF11KDRFLT1LMNA | |
| SCHEMBL6535264 | 0.79 | AR (0.46) | RAPGEF4KIF11KDRFLT1LMNA | |
| SCHEMBL5543216 | 0.78 | MAPT (0.49) | ALDH1A1LMNAHTTSMN1; SMN2NPC1 | |
| SCHEMBL30555452 | 0.78 | MAPT (0.49) | ALDH1A1LMNAHTTSMN1; SMN2NPC1 | |
| SCHEMBL23974261 | 0.78 | NOTUM (0.46) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL6898031 | 0.78 | SLC22A12 (0.49) | CCNE2CDK4CCND1CCNE1CDK2 | |
| SCHEMBL29886395 | 0.78 | NOTUM (0.46) | CCNE2CDK4CCND1CCNE1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021219090-A1 | QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN | 北京泰德制药股份有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |