Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | LPL | P06858 | 2/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 2/20 | 0.33 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL29414003 | 0.94 | NQO2 (0.46) | NQO2LPLLIPGKDM4EMEN1 | |
| SCHEMBL21459066 | 0.94 | NQO2 (0.46) | NQO2LPLLIPGKDM4EMEN1 | |
| SCHEMBL24680593 | 0.80 | NQO2 (0.38) | NQO2LPLLIPGKDM4EMEN1 | |
| SCHEMBL30065462 | 0.79 | LPL (0.42) | LPLLIPGALDH1A1JAK2BTK | |
| SCHEMBL22555220 | 0.79 | LPL (0.42) | LPLLIPGALDH1A1JAK2BTK | |
| SCHEMBL30077693 | 0.78 | LPL (0.33) | LPLLIPGMEN1ALDH1A1MAPT | |
| SCHEMBL23668643 | 0.78 | LPL (0.33) | LPLLIPGMEN1ALDH1A1MAPT | |
| SCHEMBL23569435 | 0.78 | ESR1 (0.39) | NQO2LPLLIPGJAK2BTK | |
| SCHEMBL29478942 | 0.78 | ESR1 (0.39) | NQO2LPLLIPGJAK2BTK | |
| SCHEMBL22555118 | 0.77 | LPL (0.43) | LPLLIPGKDM4EALDH1A1MAPT |
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-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 |