Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL9024883 | 0.85 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL8982863 | 0.81 | BCHE (0.74) | CYP2D6BCHEACHELMNAKCNH2 | |
| SCHEMBL9024220 | 0.80 | BCHE (0.54) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL9427066 | 0.76 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP2C19GAAHTT | |
| SCHEMBL9025225 | 0.76 | HCRTR1 (0.51) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL25728921 | 0.73 | BCHE (0.61) | CYP2D6BCHEACHELMNAKCNH2 | |
| SCHEMBL4411747 | 0.73 | MTNR1B (0.66) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL9024153 | 0.72 | MTNR1B (0.56) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL9025038 | 0.71 | MTNR1B (0.44) | CYP3A4CYP2D6CYP2C19BCHEACHE | |
| SCHEMBL9024245 | 0.71 | LMNA (0.52) | CYP2D6BCHEACHEHCRTR1LMNA |
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-0501693-B1 | Isoquinoline derivatives | BANYU PHARMA CO LTD (JP) | 1996-08-28 | — | — | EP | disclosed |
| US-5362736-A | Alkoxy derivatives for cardiovascular disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1994-11-08 | — | — | US | disclosed |
| EP-0501693-A1 | Isoquinoline derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1992-09-02 | — | — | EP | disclosed |