Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 3/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL22989994 | 0.82 | CDK5 (0.44) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL4317715 | 0.82 | PARP10 (0.50) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL31546232 | 0.81 | PARP10 (0.49) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL30842141 | 0.78 | PARP10 (0.46) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL23980062 | 0.77 | SMN1; SMN2 (0.52) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL2060926 | 0.77 | ACHE (0.47) | CA1CA2CA7CA9 | |
| SCHEMBL31284751 | 0.74 | LDHA (0.34) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL18440624 | 0.74 | TYMS (0.39) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL7923840 | 0.73 | PARP10 (0.42) | PARP10PARP11CDK5PIM1CSNK1A1 | |
| SCHEMBL7052870 | 0.71 | PARP10 (0.58) | PARP10PARP11CDK5PIM1CSNK1A1 |
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-116194456-A | Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof | 上海科州药物研发有限公司 | 2023-05-30 | — | — | CN | disclosed |
| WO-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |