Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.52 |
| ▸ | PNMT | P11086 | 2/20 | 0.68 |
| ▸ | CD44 | P16070 | 1/20 | 0.68 |
| ▸ | MAOB | P27338 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.44 |
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 SCHEMBL11441365 | 1.00 | PNMT (0.68) | PNMTCD44MAOBHTR2CNPSR1 | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL8788628 | 1.00 | PNMT (0.68) | PNMTCD44MAOBHTR2CNPSR1 | |
| Fumaric Acid SCHEMBL12504899 | 0.91 | HTR2C (0.64) | PNMTCD44MAOBHTR2CNPSR1 | |
| Fumaric Acid SCHEMBL12504903 | 0.91 | HTR2C (0.64) | PNMTCD44MAOBHTR2CNPSR1 | |
| Maleic Acid SCHEMBL29496807 | 0.91 | HTR2C (0.64) | PNMTCD44MAOBHTR2CNPSR1 | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL6010101 | 0.89 | PNMT (0.79) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL4779021 | 0.87 | PNMT (0.76) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL6647088 | 0.85 | PNMT (0.73) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL4007316 | 0.85 | PNMT (0.73) | PNMTCD44MAOBHTR2CPRCP | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL1462134 | 0.83 | PNMT (0.76) | PNMTCD44MAOBHTR2C |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100436420-C | 4-phenyl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin | ALBANY MOLECULAR RES CO (US) | 2008-11-26 | — | — | CN | disclosed |
| CN-101094672-A | 4-phenyl substituted tetrahydroisoquinolines and their use to block reuptake of norepinephrine, dopamine, and 5-hydroxytryptamine | AMR TECHNOLOGY INC (US) | 2007-12-26 | — | — | CN | disclosed |
| CN-1413197-A | 4-phenyl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine and serotonin | ALBANY MOLECULAR RES CO (US) | 2003-04-23 | — | — | CN | disclosed |
| EP-0707570-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995000489-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |