Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | PDE5A | O76074 | 5/20 | 0.33 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 2/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20649390 | 1.00 | CSNK2A1 (0.48) | CSNK2A1AOC3MAOBPDE5ACHKA | |
| SCHEMBL20649369 | 0.93 | CSNK2A1 (0.40) | CSNK2A1AOC3MAOBPDE5AMAPT | |
| SCHEMBL30183295 | 0.93 | CSNK2A1 (0.40) | CSNK2A1AOC3MAOBPDE5AMAPT | |
| SCHEMBL20649045 | 0.92 | CSNK2A1 (0.37) | CSNK2A1AOC3MAOBPDE5AMAPT | |
| SCHEMBL20649174 | 0.90 | NPSR1 (0.46) | MAPTNPSR1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL20649007 | 0.89 | CSNK2A1 (0.36) | CSNK2A1AOC3MAOB | |
| SCHEMBL20649081 | 0.89 | F2 (0.43) | CSNK2A1AOC3MAOBPDE5AMAPT | |
| SCHEMBL20649060 | 0.88 | CSNK2A1 (0.36) | CSNK2A1AOC3MAOBPDE5APDE1A | |
| SCHEMBL30183361 | 0.88 | CSNK2A1 (0.36) | CSNK2A1AOC3MAOBPDE5APDE1A | |
| SCHEMBL20649338 | 0.87 | ACKR3 (0.36) | CSNK2A1AOC3MAOB |
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 |