Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.81 |
| ▸ | MAPT | P10636 | 1/20 | 0.81 |
| ▸ | TSHR | P16473 | 1/20 | 0.81 |
| ▸ | CCKBR | P32239 | 4/20 | 0.71 |
| ▸ | CCKAR | P32238 | 5/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL9091210 | 0.90 | CYP3A4 (1.00) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL5054460 | 0.90 | CYP3A4 (1.00) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL2870373 | 0.90 | CYP3A4 (1.00) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL30619679 | 0.90 | CYP3A4 (1.00) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL9092031 | 0.90 | CYP3A4 (0.87) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL9230415 | 0.89 | CYP3A4 (0.86) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL9230126 | 0.89 | CYP3A4 (0.86) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL9226779 | 0.88 | CYP3A4 (0.82) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL9231830 | 0.88 | CYP3A4 (0.85) | CYP3A4MAPTTSHRCCKBRCCKAR | |
| SCHEMBL9091423 | 0.88 | CYP3A4 (0.85) | CYP3A4MAPTTSHRCCKBRCCKAR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0647632-A1 | NOVEL BENZODIAZEPINE DERIVATIVE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-04-12 | — | — | EP | disclosed |