Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 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 | |
|---|---|---|---|---|
| SCHEMBL30950264 | 1.00 | KRAS (0.42) | KRASKCNH2NR1H2NR1H3SQOR | |
| SCHEMBL28673619 | 0.93 | KRAS (0.38) | KRASKCNH2NR1H2NR1H3GPR119 | |
| SCHEMBL30950243 | 0.93 | KRAS (0.38) | KRASKCNH2NR1H2NR1H3GPR119 | |
| SCHEMBL28929882 | 0.93 | KCNH2 (0.36) | KRASKCNH2NR1H2NR1H3SQOR | |
| SCHEMBL30950272 | 0.93 | KCNH2 (0.36) | KRASKCNH2NR1H2NR1H3SQOR | |
| SCHEMBL28655528 | 0.90 | KRAS (0.43) | KRASPARP1SLC6A3 | |
| SCHEMBL30950231 | 0.90 | KCNH2 (0.35) | KRASKCNH2NR1H2NR1H3SQOR | |
| SCHEMBL28654715 | 0.90 | KCNH2 (0.35) | KRASKCNH2NR1H2NR1H3SQOR | |
| SCHEMBL30950217 | 0.88 | KCNH2 (0.35) | KCNH2NR1H2NR1H3SQORGPR119 | |
| SCHEMBL28655570 | 0.88 | KCNH2 (0.35) | KCNH2NR1H2NR1H3SQORGPR119 |
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-113637005-B | KRAS inhibitors for cancer treatment | 泰励生物科技（上海）有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-113637005-A | KRAS inhibitors for cancer treatment | 泰励生物科技（上海）有限公司 | 2021-11-12 | — | — | CN | disclosed |