Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 5/20 | 0.33 |
| ▸ | PDE9A | O76083 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.32 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL25385694 | 1.00 | KRAS (0.33) | KRASPDE9APARP1CYP2C19CYP3A4 | |
| SCHEMBL24425142 | 0.85 | KCNH2 (0.45) | — | |
| SCHEMBL29654280 | 0.82 | KRAS (0.37) | KRASCYP2C19CYP3A4CYP2D6CYP3A5 | |
| SCHEMBL18128501 | 0.82 | KRAS (0.37) | KRASCYP2C19CYP3A4CYP2D6CYP3A5 | |
| SCHEMBL25329782 | 0.81 | PDE9A (0.31) | PDE9A | |
| SCHEMBL26932692 | 0.77 | ABL1 (0.41) | KRASKDM4EALDH1A1NPSR1 | |
| SCHEMBL30260098 | 0.76 | KRAS (0.38) | KRAS | |
| SCHEMBL25331131 | 0.74 | — | — | |
| SCHEMBL25382988 | 0.73 | KRAS (0.36) | KRASCYP2C19CYP3A4CYP2D6CYP3A5 | |
| SCHEMBL25384534 | 0.72 | KRAS (0.37) | KRASCYP2C19CYP3A4CYP2D6CYP3A5 |
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-2022095960-A1 | KRAS INHIBITORS FOR TREATMENT OF CANCERS | 泰励生物科技（上海）有限公司 | 2022-05-12 | — | — | WO | disclosed |