Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | SCN4A | P35499 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.49 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3929311 | 0.82 | ADORA2A (0.62) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL6492186 | 0.81 | CSNK1A1 (0.55) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL978678 | 0.79 | CSNK1A1 (0.47) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL9848562 | 0.77 | SCN9A (0.57) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL9848568 | 0.75 | CSNK1A1 (0.41) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL9848576 | 0.75 | CSNK1A1 (0.41) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL7349151 | 0.74 | CSNK1A1 (0.66) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL7384520 | 0.74 | NPC1 (0.37) | ADORA2AADORA1ALDH1A1CYP3A4DHFR | |
| SCHEMBL10843457 | 0.73 | ADORA2A (0.71) | CSNK1A1CLK4CYP2D6MAOAMAPK1 | |
| SCHEMBL12922469 | 0.72 | CSNK1A1 (0.74) | CSNK1A1CLK4CYP2D6MAOAMAPK1 |
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-0459829-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0459829-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |