Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | PAK4 | O96013 | 1/20 | 0.30 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | LYN | P07948 | 1/20 | 0.30 |
| ▸ | PIM1 | P11309 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | PRKACA | P17612 | 1/20 | 0.30 |
| ▸ | FLT1 | P17948 | 1/20 | 0.30 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.30 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | MARK3 | P27448 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | FLT4 | P35916 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21839593 | 0.72 | NPC1 (0.39) | — | |
| SCHEMBL21839495 | 0.72 | ALDH1A1 (0.51) | MAPK1 | |
| SCHEMBL28575299 | 0.71 | PIM1 (0.33) | PIM1 | |
| SCHEMBL21901455 | 0.68 | LCK (0.49) | LCK | |
| SCHEMBL28564366 | 0.67 | MAPT (0.39) | LIMK1DYRK1A | |
| SCHEMBL28902824 | 0.66 | CLK1 (0.31) | DYRK1A | |
| SCHEMBL27209845 | 0.65 | PDGFRB (0.31) | KDR | |
| SCHEMBL28782049 | 0.65 | NPC1 (0.34) | DYRK1A | |
| SCHEMBL25368842 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL17796987 | 0.63 | SLC1A3 (0.38) | DGAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112805281-B | KRAS G12C inhibitors | 伊莱利利公司 | 2022-05-10 | — | — | CN | disclosed |
| CN-112805281-A | KRAS G12C inhibitors | 伊莱利利公司 | 2021-05-14 | — | — | CN | disclosed |