Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | PAK4 | O96013 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23977871 | 1.00 | RPS6KA3 (0.47) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL706525 | 0.85 | MAPKAPK2 (0.53) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL31214307 | 0.85 | RPS6KA3 (0.53) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL29964021 | 0.79 | CSNK2A1 (0.47) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL23977899 | 0.79 | CSNK2A1 (0.47) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL18426240 | 0.79 | MAPKAPK2 (0.44) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL9863411 | 0.76 | MAPKAPK2 (0.56) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL18426438 | 0.76 | MAPKAPK2 (0.44) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL29338767 | 0.76 | MAPKAPK2 (0.44) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 | |
| SCHEMBL16536360 | 0.76 | GRIN2D (0.54) | RPS6KA3MAPKAPK2CSNK2A1PLK3ALDH1A1 |
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-115135636-B | Quinoxalinone derivatives as irreversible inhibitors of KRAS G12C muteins | 北京泰德制药股份有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-115135636-A | Quinoxalinone derivatives as irreversible inhibitors of KRAS G12C mutant proteins | 北京泰德制药股份有限公司 | 2022-09-30 | — | — | CN | disclosed |