Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.51 |
| ▸ | ASIC3 | Q9UHC3 | 5/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | CD44 | P16070 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25404671 | 1.00 | CD274 (0.51) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL31070548 | 0.89 | MIF (0.43) | CD274GSK3BGSK3AMIFSYK | |
| SCHEMBL31083760 | 0.83 | CD274 (0.53) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL25406535 | 0.83 | CD274 (0.53) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL25402840 | 0.76 | CD274 (0.61) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL25401778 | 0.74 | CD274 (0.52) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL25404459 | 0.73 | CD274 (0.51) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL31083759 | 0.73 | CD274 (0.51) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL6347388 | 0.73 | ASIC3 (0.65) | CD274ASIC3PNMTCD44MAOB | |
| SCHEMBL4553211 | 0.73 | CD274 (0.60) | CD274ASIC3PNMTCD44MAOB |
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 |