Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | PAK1 | Q13153 | 4/20 | 0.42 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.42 |
| ▸ | MAP2 | P11137 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | AXL | P30530 | 4/20 | 0.39 |
| ▸ | SGK2 | Q9HBY8 | 3/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 2/20 | 0.39 |
| ▸ | FYN | P06241 | 2/20 | 0.39 |
| ▸ | FLT4 | P35916 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | FRK | P42685 | 2/20 | 0.39 |
| ▸ | CLK2 | P49760 | 2/20 | 0.39 |
| ▸ | CAMK2B | Q13554 | 2/20 | 0.39 |
| ▸ | CAMK2G | Q13555 | 2/20 | 0.39 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29084845 | 1.00 | JAK2 (0.43) | JAK2PAK1PKN1MAP2HSD11B1 | |
| SCHEMBL30593275 | 0.89 | HSD11B1 (0.40) | PAK1PKN1HSD11B1AXLSGK2 | |
| SCHEMBL29084879 | 0.89 | AURKA (0.43) | JAK2PAK1PKN1HSD11B1AXL | |
| SCHEMBL29084871 | 0.89 | HSD11B1 (0.40) | PAK1PKN1HSD11B1AXLSGK2 | |
| SCHEMBL30593219 | 0.89 | AURKA (0.43) | JAK2PAK1PKN1HSD11B1AXL | |
| SCHEMBL31083748 | 0.86 | KIF11 (0.48) | MAP2HSD11B1KIF11ESR1ESR2 | |
| SCHEMBL30593227 | 0.83 | ECE1 (0.44) | HSD11B1KIF11ESR1ESR2 | |
| SCHEMBL29084778 | 0.80 | MAP2 (0.40) | MAP2HSD11B1PRKAA1KIF11ESR1 | |
| SCHEMBL30593278 | 0.80 | MAP2 (0.40) | MAP2HSD11B1PRKAA1KIF11ESR1 | |
| SCHEMBL30593229 | 0.80 | ESR1 (0.39) | HSD11B1KIF11ESR1ESR2 |
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-118742543-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-10-01 | — | — | CN | disclosed |
| CN-116789641-A | Dihydro isoquinoline compound and medical application thereof | 中国科学院上海药物研究所 | 2023-09-22 | — | — | CN | disclosed |