Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | BUB1 | O43683 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TOP2A | P11388 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 2/20 | 0.32 |
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 SCHEMBL7800218 | 0.96 | HTR2A (0.40) | HTR2ALOXL2TAAR1CYP2A6SMN1; SMN2 | |
| Phenethylamine SCHEMBL7802643 | 0.95 | HTR2A (0.39) | HTR2ALOXL2TAAR1CYP2A6SMN1; SMN2 | |
| Benzylamine SCHEMBL7801517 | 0.93 | BUB1 (0.37) | LOXL2BUB1THRBCYP3A4CYP2D6 | |
| Phenethylamine SCHEMBL7801522 | 0.92 | THRB (0.37) | HTR2ALOXL2TAAR1CYP2A6SMN1; SMN2 | |
| Phenethylamine SCHEMBL7798284 | 0.90 | BUB1 (0.36) | HTR2ALOXL2TAAR1CYP2A6SMN1; SMN2 | |
| SCHEMBL1295672 | 0.76 | BUB1 (0.34) | BUB1 | |
| Isopropylamine SCHEMBL7802561 | 0.71 | BUB1 (0.31) | BUB1 | |
| Phenethylamine SCHEMBL7800504 | 0.71 | HTR2A (0.52) | HTR2ALOXL2TAAR1CYP2A6SMN1; SMN2 | |
| Phenethylamine SCHEMBL7800436 | 0.71 | TAAR1 (0.52) | HTR2ALOXL2TAAR1CYP2A6SMN1; SMN2 | |
| SCHEMBL12268149 | 0.69 | BACE1 (0.39) | SMN1; SMN2BUB1CYP3A4TOP2A |
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 |