Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of 1,2,3,4-Tetrahydroisoquinoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 6/20 | 0.95 |
| ▸ | CD44 | P16070 | 2/20 | 0.95 |
| ▸ | MAOB | P27338 | 1/20 | 0.95 |
| ▸ | HTR2C | P28335 | 1/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.52 |
| ▸ | PRCP | P42785 | 1/20 | 0.50 |
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 SCHEMBL30536886 | 1.00 | PNMT (0.95) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL11457584 | 1.00 | PNMT (0.95) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL28236302 | 0.97 | PNMT (1.00) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL29360217 | 0.97 | PNMT (1.00) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL19085 | 0.97 | PNMT (1.00) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL11213530 | 0.95 | PNMT (0.95) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL987515 | 0.95 | PNMT (0.95) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL4243903 | 0.95 | PNMT (0.95) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL20524019 | 0.95 | PNMT (0.95) | PNMTCD44MAOBHTR2CADRA2A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL5411332 | 0.95 | PNMT (0.95) | PNMTCD44MAOBHTR2CADRA2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4235906-A | MUSCLE RELAXANTS | MASSACHUSETTS GENERAL HOSPITAL (US) | 1980-11-25 | — | — | US | disclosed |