Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.36 |
| ▸ | CHKA | P35790 | 15/20 | 0.34 |
| ▸ | CHKB | Q9Y259 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29350248 | 0.90 | CHKA (0.36) | CDK1CHKACHKBADORA3 | |
| SCHEMBL21176132 | 0.88 | CHKA (0.42) | CHKACHKBADORA3 | |
| SCHEMBL21176131 | 0.88 | CHKA (0.42) | CHKACHKBADORA3 | |
| SCHEMBL29354360 | 0.87 | CHKA (0.36) | CHKACHKB | |
| SCHEMBL29354564 | 0.79 | CHKA (0.38) | CHKACHKB | |
| SCHEMBL21176120 | 0.79 | CHKA (0.45) | CHKACHKB | |
| SCHEMBL19820509 | 0.79 | CHKA (0.45) | CHKACHKB | |
| SCHEMBL21190300 | 0.75 | CHKA (0.49) | CHKACHKBADORA3 | |
| SCHEMBL29353246 | 0.75 | CHKA (0.49) | CHKACHKBADORA3 | |
| SCHEMBL18512572 | 0.70 | PI4KA (0.42) | ADORA3 |
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-109790164-B | Purine and 3-deazapurine analogues as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2022-01-25 | — | — | CN | disclosed |