Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11543046 | 0.84 | CYP3A4 (0.69) | CYP3A4CYP2D6ABCB1 | |
| SCHEMBL11712657 | 0.80 | CYP3A4 (0.72) | CYP3A4CYP2D6 | |
| SCHEMBL10767029 | 0.80 | ABCB1 (0.62) | ABCB1 | |
| SCHEMBL10345899 | 0.79 | CYP2D6 (0.53) | CYP3A4CYP2D6 | |
| SCHEMBL16807896 | 0.76 | DRD1 (0.52) | CYP3A4CYP2D6 | |
| SCHEMBL16807895 | 0.75 | DRD1 (0.51) | CYP3A4CYP2D6 | |
| SCHEMBL11717530 | 0.75 | CYP2D6 (0.71) | CYP3A4CYP2D6 | |
| SCHEMBL10748864 | 0.75 | CYP2D6 (0.74) | CYP3A4CYP2D6 | |
| SCHEMBL10345840 | 0.75 | CYP2D6 (0.53) | CYP3A4CYP2D6 | |
| SCHEMBL11529724 | 0.73 | DRD1 (0.46) | CYP3A4CYP2D6 |
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-4707483-A | 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders | SMITHKLINE BECKMAN CORPORATION (US) | 1987-11-17 | — | — | US | disclosed |