Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 5/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4590019 | 0.88 | TAAR1 (0.40) | TAAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4589981 | 0.80 | TAAR1 (0.41) | TAAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4589466 | 0.77 | TAAR1 (0.42) | TAAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13509275 | 0.77 | CHRM2 (0.51) | TAAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1338205 | 0.76 | TAAR1 (0.54) | TAAR1IDO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30444061 | 0.76 | TAAR1 (0.54) | TAAR1IDO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4589236 | 0.74 | CHRM2 (0.43) | TAAR1IDO1AOC3PNMTSMN1; SMN2 | |
| SCHEMBL1180759 | 0.71 | TAAR1 (0.39) | TAAR1AOC3LMNASMN1; SMN2HTR3E | |
| SCHEMBL3267837 | 0.70 | TAAR1 (0.50) | TAAR1IDO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9427683 | 0.70 | TAAR1 (0.61) | TAAR1CYP1A2CYP3A4CYP2D6CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2124941-A1 | COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST | Argenta Discovery Limited (GB) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008096126-A1 | COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |