Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.40 |
| ▸ | PDE1A | P54750 | 2/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CCND3 | P30281 | 1/20 | 0.30 |
| ▸ | CDK6 | Q00534 | 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 | |
|---|---|---|---|---|
| SCHEMBL20649344 | 1.00 | PDE5A (0.40) | PDE5APDE1APDE1BPDE1CCDK4 | |
| SCHEMBL20648980 | 0.92 | PDE5A (0.34) | PDE5APDE1APDE1BPDE1C | |
| SCHEMBL30183286 | 0.86 | L3MBTL1 (0.38) | CDK4CCNA2CDK2CCND3CDK6 | |
| SCHEMBL20649193 | 0.86 | L3MBTL1 (0.38) | CDK4CCNA2CDK2CCND3CDK6 | |
| SCHEMBL20648932 | 0.86 | GRM5 (0.40) | — | |
| SCHEMBL30183122 | 0.86 | GRM5 (0.40) | — | |
| SCHEMBL30183295 | 0.84 | CSNK2A1 (0.40) | PDE5A | |
| SCHEMBL20649369 | 0.84 | CSNK2A1 (0.40) | PDE5A | |
| SCHEMBL20649045 | 0.84 | CSNK2A1 (0.37) | PDE5ACDK2 | |
| SCHEMBL30183497 | 0.84 | ATR (0.31) | — |
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 |