Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 16/20 | 0.51 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | MELK | Q14680 | 1/20 | 0.40 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31399012 | 0.81 | CHEK1 (0.54) | CHEK1F7LTA4HF3AHR | |
| SCHEMBL25073866 | 0.80 | CHEK1 (0.43) | CHEK1AHRJAK2RPS6KA3MELK | |
| SCHEMBL30279145 | 0.80 | CHEK1 (0.43) | CHEK1AHRJAK2RPS6KA3MELK | |
| SCHEMBL31227194 | 0.79 | CHEK1 (0.51) | CHEK1F7LTA4HF3AHR | |
| SCHEMBL1397681 | 0.77 | CSNK2A1 (0.46) | CHEK1CSNK2A1F7LTA4HF3 | |
| SCHEMBL25151113 | 0.75 | CHEK1 (0.47) | CHEK1CSNK2A1AHRNR4A2JAK2 | |
| SCHEMBL31723375 | 0.73 | CHEK1 (0.53) | CHEK1CSNK2A1AHRJAK2RPS6KA3 | |
| SCHEMBL3117561 | 0.72 | JAK2 (0.61) | CHEK1AHRJAK2RPS6KA3MELK | |
| SCHEMBL25317975 | 0.71 | CHEK1 (0.42) | CHEK1CSNK2A1JAK2RPS6KA3MELK | |
| SCHEMBL1050400 | 0.69 | CHEK1 (0.49) | CHEK1F7LTA4HF3AHR |
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-111961035-B | Compound containing hydroxyisoquinoline structure, pharmaceutical composition and application thereof | 南京科技职业学院 | 2022-11-01 | — | — | CN | disclosed |
| CN-111961035-A | Compound containing hydroxyisoquinoline structure, pharmaceutical composition and application thereof | 南京科技职业学院 | 2020-11-20 | — | — | CN | disclosed |