Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.47 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL24001945 | 0.75 | CHEK1 (0.38) | CHEK1CCNA2CDK2CCNA1DRD2 | |
| SCHEMBL24001714 | 0.71 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1DRD2 | |
| SCHEMBL19680559 | 0.71 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1DRD2 | |
| SCHEMBL24001938 | 0.71 | CHEK1 (0.49) | CHEK1CCNA2CDK2CCNA1DRD2 | |
| Hydrochloric Acid SCHEMBL26989017 | 0.70 | CHEK1 (0.48) | CHEK1CCNA2CDK2CCNA1DRD2 | |
| SCHEMBL25731563 | 0.70 | DRD2 (0.40) | DRD2DRD3 | |
| SCHEMBL31330686 | 0.70 | CHEK1 (0.48) | CHEK1CCNA2CDK2CCNA1DRD2 | |
| SCHEMBL27816652 | 0.69 | DRD2 (0.42) | DRD2DRD3PRKACAPRKACGPRKACB | |
| SCHEMBL28976231 | 0.68 | CSNK1D (0.43) | PRKACAPRKACGPRKACBKCNH2 | |
| SCHEMBL27841432 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115531387-A | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-110234637-B | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2022-11-01 | — | — | CN | disclosed |
| CN-110234637-A | Pyrazole amide compounds useful as IRAK inhibitors | 里格尔药品股份有限公司 | 2019-09-13 | — | — | CN | disclosed |