Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 5/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | PTAFR | P25105 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4129050 | 0.90 | CDK1 (0.47) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL29270987 | 0.89 | CDK1 (0.44) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL29186041 | 0.84 | CDK1 (0.44) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL8064381 | 0.82 | CDK1 (0.45) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL22283276 | 0.81 | LMNA (0.43) | RAB9ALMNA | |
| SCHEMBL11121382 | 0.78 | CDK1 (0.47) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL2124063 | 0.78 | TUBB4A (0.47) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL8066879 | 0.77 | GSK3B (0.46) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL1164884 | 0.76 | ALDH1A1 (0.50) | CDK1CCNB1GSK3AGSK3BCDK5 | |
| SCHEMBL1164995 | 0.76 | ALDH1A1 (0.50) | CDK1CCNB1GSK3AGSK3BCDK5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114869877-B | Small molecule compound and application thereof as LAG3 protein inhibitor | 兰州大学 | 2024-05-31 | — | — | CN | disclosed |
| CN-114869877-B | Small molecule compound and application thereof as LAG3 protein inhibitor | 兰州大学 | 2024-05-31 | — | — | CN | disclosed |
| CN-105693682-A | Zhaoqing hesperetin hydrazone compound and application thereof | 李充璧 | 2016-06-22 | — | — | CN | disclosed |