Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 3/20 | 0.40 |
| ▸ | AXL | P30530 | 8/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | SGK2 | Q9HBY8 | 2/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.39 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.39 |
| ▸ | PAK4 | O96013 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | INSR | P06213 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30593275 | 1.00 | HSD11B1 (0.40) | HSD11B1AXLAURKASGK2CDC7 | |
| SCHEMBL29084879 | 0.89 | AURKA (0.43) | HSD11B1AXLAURKASGK2CDC7 | |
| SCHEMBL29084845 | 0.89 | JAK2 (0.43) | HSD11B1AXLAURKASGK2CDC7 | |
| SCHEMBL30593219 | 0.89 | AURKA (0.43) | HSD11B1AXLAURKASGK2CDC7 | |
| SCHEMBL30593241 | 0.89 | JAK2 (0.43) | HSD11B1AXLAURKASGK2CDC7 | |
| SCHEMBL30593317 | 0.84 | HSD11B1 (0.43) | HSD11B1ESR1ESR2 | |
| SCHEMBL30593229 | 0.81 | ESR1 (0.39) | HSD11B1ESR1ESR2 | |
| SCHEMBL30593227 | 0.81 | ECE1 (0.44) | HSD11B1ESR1ESR2 | |
| SCHEMBL29084778 | 0.79 | MAP2 (0.40) | HSD11B1PRKAA1ESR1ESR2 | |
| SCHEMBL30593278 | 0.79 | MAP2 (0.40) | HSD11B1PRKAA1ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |