Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.34 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | LITAF | Q99732 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28673619 | 1.00 | KRAS (0.38) | KRASNR1H2NR1H3KCNH2PARP1 | |
| SCHEMBL28929882 | 0.94 | KCNH2 (0.36) | KRASNR1H2NR1H3KCNH2PARP1 | |
| SCHEMBL30950272 | 0.94 | KCNH2 (0.36) | KRASNR1H2NR1H3KCNH2PARP1 | |
| SCHEMBL28654715 | 0.94 | KCNH2 (0.35) | KRASNR1H2NR1H3KCNH2PARP1 | |
| SCHEMBL30950231 | 0.94 | KCNH2 (0.35) | KRASNR1H2NR1H3KCNH2PARP1 | |
| SCHEMBL28669680 | 0.93 | KRAS (0.42) | KRASNR1H2NR1H3KCNH2PARP1 | |
| SCHEMBL30950264 | 0.93 | KRAS (0.42) | KRASNR1H2NR1H3KCNH2PARP1 | |
| SCHEMBL30950217 | 0.89 | KCNH2 (0.35) | NR1H2NR1H3KCNH2PARP1TRPV1 | |
| SCHEMBL28655570 | 0.89 | KCNH2 (0.35) | NR1H2NR1H3KCNH2PARP1TRPV1 | |
| SCHEMBL28655528 | 0.83 | KRAS (0.43) | KRASPARP1TRPV1 |
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-113637005-B | KRAS inhibitors for cancer treatment | 泰励生物科技（上海）有限公司 | 2024-05-24 | — | — | CN | disclosed |