Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.62 |
| ▸ | MAOB | P27338 | 5/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 SCHEMBL7800462 | 0.91 | TAAR1 (0.52) | TAAR1MAOBSMN1; SMN2GRIN1GRIN2B | |
| Phenethylamine SCHEMBL7801605 | 0.88 | TAAR1 (0.53) | TAAR1MAOBCYP2A6HTR2ASMN1; SMN2 | |
| SCHEMBL7802597 | 0.84 | MAOB (0.54) | TAAR1MAOB | |
| SCHEMBL7800391 | 0.83 | TAAR1 (0.59) | TAAR1MAOB | |
| Phenethylamine SCHEMBL10913595 | 0.83 | TAAR1 (0.89) | TAAR1MAOBCYP2A6HTR2ASMN1; SMN2 | |
| SCHEMBL7800259 | 0.82 | MAOB (0.58) | TAAR1MAOB | |
| Benzoic Acid SCHEMBL7798612 | 0.81 | MAOB (0.51) | TAAR1MAOB | |
| SCHEMBL29425705 | 0.81 | FBP1 (0.56) | MAOBFBP1 | |
| SCHEMBL67201 | 0.81 | FBP1 (0.56) | MAOBFBP1 | |
| Benzoic Acid SCHEMBL7800370 | 0.81 | MEN1 (0.53) | TAAR1MAOB |
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 |