Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | ECE1 | P42892 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL29084783 | 1.00 | SLC6A4 (0.48) | SLC6A4SLC6A3SLC6A2IDO1ECE1 | |
| SCHEMBL30593227 | 0.87 | ECE1 (0.44) | ECE1 | |
| SCHEMBL30593317 | 0.86 | HSD11B1 (0.43) | SLC6A4HTR1A | |
| SCHEMBL31083748 | 0.86 | KIF11 (0.48) | IDO1ECE1 | |
| SCHEMBL31083802 | 0.86 | ECE1 (0.38) | IDO1ECE1 | |
| SCHEMBL31083752 | 0.86 | KIF11 (0.49) | IDO1ECE1 | |
| SCHEMBL29084839 | 0.85 | DRD2 (0.41) | — | |
| SCHEMBL30593296 | 0.85 | DRD2 (0.41) | — | |
| SCHEMBL30593229 | 0.83 | ESR1 (0.39) | IDO1ECE1 | |
| SCHEMBL31083796 | 0.83 | TNFSF11 (0.43) | ECE1 |
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 |