Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL15180363 | 1.00 | HTR2A (0.47) | HTR2AHTR2CHTR2BALDH1A1CYP2D6 | |
| SCHEMBL14845340 | 0.87 | HTR2A (0.43) | HTR2AHTR2CHTR2BALDH1A1CYP2D6 | |
| SCHEMBL3796345 | 0.83 | CA1 (0.42) | HTR2BALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL14828500 | 0.83 | CYP3A4 (0.43) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL31549 | 0.83 | CYP3A4 (0.43) | HTR2AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7911834 | 0.83 | CYP3A4 (0.43) | HTR2AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL3801546 | 0.83 | NQO2 (0.44) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 | |
| SCHEMBL383341 | 0.83 | CYP3A4 (0.43) | HTR2AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL7436614 | 0.83 | CYP3A4 (0.43) | HTR2AALDH1A1CYP2D6CYP2C9ALOX15 | |
| SCHEMBL14828507 | 0.83 | CYP3A4 (0.43) | ALDH1A1CYP2D6CYP2C9ALOX15MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9045788-B2 | Process for the enzymatic synthesis of (7S)-1-(3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl) N-methyl methanamine, and application in the synthesis of ivabradine and salts thereof | LES LABORATOIRES SERVIER (FR) | 2015-06-02 | — | — | US | disclosed |
| US-20140024088-A1 | PROCESS FOR THE ENZYMATIC SYNTHESIS OF (7S)-1-(3,4-DIMETHOXYBICYCLO[4.2.0]OCTA-1,3,5-TRIEN-7-YL) N-METHYL METHANAMINE, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND SALTS THEREOF | LES LABORATOIRES SERVIER (FR) | 2014-01-23 | — | — | US | disclosed |