Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.49 |
| ▸ | CDK4 | P11802 | 3/20 | 0.42 |
| ▸ | CCND1 | P24385 | 3/20 | 0.42 |
| ▸ | ICMT | O60725 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ECE1 | P42892 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070567 | 0.90 | KIF11 (0.44) | KIF11CDK4CCND1ICMTHTR6 | |
| SCHEMBL30593227 | 0.89 | ECE1 (0.44) | KIF11ECE1HSD11B1PDE4D | |
| SCHEMBL31083802 | 0.89 | ECE1 (0.38) | KIF11HTR6ECE1HSD11B1IDO1 | |
| SCHEMBL31083748 | 0.89 | KIF11 (0.48) | KIF11CDK4CCND1ECE1HSD11B1 | |
| SCHEMBL30593317 | 0.89 | HSD11B1 (0.43) | CDK4CCND1ICMTHSD11B1 | |
| SCHEMBL30593296 | 0.87 | DRD2 (0.41) | KIF11ICMTHTR6HSD11B1NR4A2 | |
| SCHEMBL29084839 | 0.87 | DRD2 (0.41) | KIF11ICMTHTR6HSD11B1NR4A2 | |
| SCHEMBL30593237 | 0.86 | SLC6A4 (0.48) | ECE1IDO1 | |
| SCHEMBL29084783 | 0.86 | SLC6A4 (0.48) | ECE1IDO1 | |
| SCHEMBL30593229 | 0.86 | ESR1 (0.39) | KIF11ECE1HSD11B1IDO1 |
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-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 |