Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 4/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.42 |
| ▸ | PDE4A | P27815 | 3/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PDE6C | P51160 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL9024220 | 0.90 | BCHE (0.54) | MTNR1BBCHEACHEMTNR1APDE4D | |
| SCHEMBL9025038 | 0.83 | MTNR1B (0.44) | MTNR1BBCHEACHEMTNR1APDE4D | |
| SCHEMBL9024245 | 0.83 | LMNA (0.52) | MTNR1BBCHEACHEMTNR1APDE4D | |
| SCHEMBL9024298 | 0.82 | HCRTR1 (0.49) | MTNR1BBCHEACHEMTNR1APDE4D | |
| SCHEMBL9025276 | 0.82 | PDE4D (0.51) | MTNR1BBCHEACHEMTNR1APDE4D | |
| SCHEMBL9426824 | 0.81 | MTNR1B (0.48) | MTNR1BMTNR1APDE4D | |
| SCHEMBL9025364 | 0.78 | MTNR1B (0.50) | MTNR1BMTNR1APDE4DPDE4APDE4B | |
| SCHEMBL8982863 | 0.77 | BCHE (0.74) | BCHEACHEMAPK1CYP2D6 | |
| SCHEMBL9024940 | 0.76 | HCRTR2 (0.49) | MTNR1BMTNR1APDE4DMAPK1 | |
| SCHEMBL8982764 | 0.74 | TBXA2R (0.49) | BCHE |
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 |