Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CKS1B | P61024 | 8/20 | 0.50 |
| ▸ | SKP1 | P63208 | 8/20 | 0.50 |
| ▸ | SKP2 | Q13309 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.46 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28700959 | 1.00 | CKS1B (0.50) | CKS1BSKP1SKP2ALDH1A1HPGD | |
| SCHEMBL30725787 | 1.00 | CKS1B (0.50) | CKS1BSKP1SKP2ALDH1A1HPGD | |
| SCHEMBL28698756 | 0.87 | CKS1B (0.65) | CKS1BSKP1SKP2ALDH1A1HPGD | |
| SCHEMBL30725781 | 0.87 | CKS1B (0.65) | CKS1BSKP1SKP2ALDH1A1HPGD | |
| SCHEMBL30725798 | 0.79 | NPC1 (0.62) | CKS1BSKP1SKP2ALDH1A1CASP1 | |
| SCHEMBL29161332 | 0.78 | CKS1B (0.58) | CKS1BSKP1SKP2PTPN11 | |
| SCHEMBL28700978 | 0.78 | CKS1B (0.57) | CKS1BSKP1SKP2PTPN11 | |
| SCHEMBL30725802 | 0.77 | CKS1B (0.80) | CKS1BSKP1SKP2ALDH1A1KDM4E | |
| SCHEMBL615131 | 0.75 | ATR (0.76) | ATR | |
| SCHEMBL3056017 | 0.74 | ALDH1A1 (0.54) | ALDH1A1HPGDPLD1CYP1A2HSD17B10 |
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-118206499-A | 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof | 郑州大学 | 2024-06-18 | — | — | CN | disclosed |
| CN-118146165-A | 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof | 郑州大学 | 2024-06-07 | — | — | CN | disclosed |
| CN-113968824-B | 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof | 郑州大学 | 2024-01-19 | — | — | CN | disclosed |