Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.66 |
| ▸ | CD44 | P16070 | 1/20 | 0.66 |
| ▸ | MAOB | P27338 | 1/20 | 0.66 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL28209059 | 0.90 | PNMT (0.66) | PNMTCD44MAOBHTR2C | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL6304293 | 0.88 | PNMT (0.68) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL4007316 | 0.87 | PNMT (0.73) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL6010101 | 0.87 | PNMT (0.79) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL4779021 | 0.85 | PNMT (0.76) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL6647088 | 0.84 | PNMT (0.73) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL16291557 | 0.83 | PNMT (0.86) | PNMTCD44MAOBHTR2C | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL8522585 | 0.82 | PNMT (0.70) | PNMTCD44MAOBHTR2C | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL19085 | 0.81 | PNMT (1.00) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL29360217 | 0.81 | PNMT (1.00) | PNMTCD44MAOBHTR2CPRCP |
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-117736177-A | Propionic acid compound containing (R) -5-substituted tetrahydroisoquinoline, preparation method and medical application thereof | 中国医学科学院药物研究所 | 2024-03-22 | — | — | CN | disclosed |