Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA7 | P43166 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.37 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31070610 | 0.89 | DRD2 (0.38) | DRD2HTR2ADRD3CAMK2ACHRNB2 | |
| SCHEMBL30593285 | 0.86 | SLC6A4 (0.43) | DRD2CHRNB2CHRNA4 | |
| SCHEMBL30593227 | 0.79 | ECE1 (0.44) | DRD2ESR1ESR2CAMK2AHSD11B1 | |
| SCHEMBL31070630 | 0.76 | SLC6A4 (0.50) | DRD2HTR2ADRD3CHRNB2CHRNA4 | |
| SCHEMBL30593229 | 0.74 | ESR1 (0.39) | DRD2ESR1ESR2CA12CA1 | |
| SCHEMBL30593264 | 0.74 | ESR1 (0.47) | HTR2AESR1ESR2CA12CA1 | |
| SCHEMBL31083752 | 0.73 | KIF11 (0.49) | HSD11B1 | |
| SCHEMBL31083802 | 0.73 | ECE1 (0.38) | ESR1ESR2HSD11B1 | |
| SCHEMBL31083748 | 0.73 | KIF11 (0.48) | ESR1ESR2HSD11B1 | |
| SCHEMBL30593317 | 0.73 | HSD11B1 (0.43) | HTR2AESR1ESR2MTNR1BHSD11B1 |
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 |