Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Phenethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.70 |
| ▸ | HTR2A | P28223 | 2/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Phenethylamine SCHEMBL22472096 | 0.86 | HTR2A (0.84) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| Phthalic Anhydride SCHEMBL7798016 | 0.85 | HTR2A (0.50) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| Phenethylamine SCHEMBL22472091 | 0.84 | HTR2A (0.80) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| Phenethylamine SCHEMBL4688766 | 0.84 | TAAR1 (0.80) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| Phenethylamine SCHEMBL19693170 | 0.84 | TAAR1 (0.89) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 | |
| Phenethylamine SCHEMBL1332244 | 0.83 | — | — | |
| Phenethylamine SCHEMBL1331271 | 0.83 | — | — | |
| Phenethylamine SCHEMBL1330939 | 0.83 | — | — | |
| Phenethylamine SCHEMBL968 | 0.83 | — | — | |
| Phenethylamine SCHEMBL1799333 | 0.83 | HTR2A (1.00) | TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |