Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 6/20 | 0.55 |
| ▸ | CDK9 | P50750 | 2/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ALB | P02768 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 4/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.48 |
| ▸ | PRKACG | P22612 | 1/20 | 0.48 |
| ▸ | PRKACB | P22694 | 1/20 | 0.48 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10137840 | 0.90 | CDK2 (0.60) | CDK2CDK9NR1I2ALBPDE4D | |
| SCHEMBL13057359 | 0.85 | CDK2 (0.61) | CDK2CDK9CDK1PRKACACCNA2 | |
| SCHEMBL10082133 | 0.81 | NR1I2 (0.52) | CDK2CDK9NR1I2ALBPDE4D | |
| SCHEMBL24939936 | 0.81 | CDK2 (0.49) | CDK2CDK9NR1I2ALBPDE4D | |
| SCHEMBL12219199 | 0.80 | CDK2 (0.48) | CDK2CDK9NR1I2ALBPDE4D | |
| SCHEMBL22224963 | 0.80 | CDK2 (0.48) | CDK2CDK9NR1I2ALBPDE4D | |
| SCHEMBL10169348 | 0.80 | ADORA1 (0.56) | CDK2NR1I2ALBPDE4DCDK1 | |
| SCHEMBL12266870 | 0.79 | CDK2 (0.50) | CDK2CDK9NR1I2ALBPDE4D | |
| SCHEMBL23760808 | 0.79 | NR1I2 (0.47) | CDK2CDK9NR1I2ALBPDE4D | |
| SCHEMBL22224568 | 0.78 | CDK2 (0.45) | CDK2CDK9NR1I2ALBPDE4D |
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-118652276-B | Preparation process of compound for treating cancer diseases | 成都工业学院 | 2024-10-15 | — | — | CN | disclosed |
| CN-118652276-A | Preparation process of compound for treating cancer diseases | 成都工业学院 | 2024-09-17 | — | — | CN | disclosed |