Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL30065127 | 1.00 | KEAP1 (0.37) | KEAP1NFE2L2 | |
| SCHEMBL24672358 | 1.00 | KEAP1 (0.37) | KEAP1NFE2L2 | |
| SCHEMBL29795348 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL24755330 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL2541308 | 0.72 | HTT (0.32) | KEAP1NFE2L2 | |
| SCHEMBL29909463 | 0.72 | HTT (0.32) | KEAP1NFE2L2 | |
| SCHEMBL2175712 | 0.72 | GSK3A (0.31) | — | |
| SCHEMBL31732939 | 0.71 | — | — | |
| SCHEMBL29263382 | 0.71 | KEAP1 (0.38) | KEAP1NFE2L2 | |
| SCHEMBL30577251 | 0.71 | KEAP1 (0.38) | KEAP1NFE2L2 |
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-116375704-A | KRAS G12C Preparation and application of mutant protein isoquinolinone inhibitor | 药雅科技(上海)有限公司 | 2023-07-04 | — | — | CN | disclosed |
| WO-2022193871-A1 | PREPARATION AND USE OF KRASG12D MUTANT PROTEIN INHIBITOR | 药雅科技(上海)有限公司 | 2022-09-22 | — | — | WO | disclosed |
| CN-115073450-A | KRAS G12C Preparation and application of mutant protein inhibitor | 药雅科技(上海)有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-115073451-A | KRAS G12D Preparation and application of mutant protein inhibitor | 药雅科技(上海)有限公司 | 2022-09-20 | — | — | CN | disclosed |