Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 3/20 | 0.32 |
| ▸ | CDK2 | P24941 | 3/20 | 0.32 |
| ▸ | CDK4 | P11802 | 2/20 | 0.32 |
| ▸ | CCND3 | P30281 | 2/20 | 0.32 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.31 |
| ▸ | GALK1 | P51570 | 1/20 | 0.31 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20649181 | 1.00 | CCNA2 (0.32) | CCNA2CDK2CDK4CCND3CDK6 | |
| SCHEMBL30183141 | 0.89 | GSK3B (0.40) | GSK3BDYRK1A | |
| SCHEMBL20649151 | 0.89 | GSK3B (0.40) | GSK3BDYRK1A | |
| SCHEMBL20649023 | 0.88 | ALOX15 (0.39) | CCNA2CDK2CDK4CCND3CDK6 | |
| SCHEMBL30183051 | 0.88 | ALOX15 (0.39) | CCNA2CDK2CDK4CCND3CDK6 | |
| SCHEMBL20649253 | 0.88 | CDK4 (0.37) | CCNA2CDK2CDK4CCND3 | |
| SCHEMBL30183518 | 0.88 | CDK4 (0.37) | CCNA2CDK2CDK4CCND3 | |
| SCHEMBL20648926 | 0.87 | SCD (0.34) | CCNA2CDK2CDK4CCND3CDK6 | |
| SCHEMBL30183457 | 0.87 | SCD (0.34) | CCNA2CDK2CDK4CCND3CDK6 | |
| SCHEMBL20649354 | 0.87 | KDR (0.35) | CCNA2CDK2CCNA1DYRK1A |
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-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | claimed |
| CN-110997678-B | Pyrazoloquinazoline derivatives as choline kinase inhibitors | 内尔维亚诺医疗科学公司 | 2023-02-21 | — | — | CN | disclosed |