Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.73 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 3/20 | 0.41 |
| ▸ | GHSR | Q92847 | 4/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL12033289 | 0.92 | CYP2D6 (0.72) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL13554625 | 0.92 | CYP2D6 (0.77) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL13554800 | 0.90 | CYP2D6 (0.73) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL6431636 | 0.88 | CYP2D6 (0.80) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL12033031 | 0.87 | CYP2D6 (0.83) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL6432704 | 0.87 | CYP2D6 (0.77) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL1763222 | 0.87 | CYP2D6 (0.79) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL6432417 | 0.87 | CYP2D6 (0.79) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL1763220 | 0.87 | CYP2D6 (0.79) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 | |
| SCHEMBL6431594 | 0.86 | CYP2D6 (0.78) | CYP2D6CYP2C19CYP2C9CYP3A4LIMK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9132188-B2 | Chemically Programmed Vaccination | THE SCRIPPS RESEARCH INSTITUTE (US) | 2015-09-15 | — | — | US | disclosed |