Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 20/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL4018910 | 1.00 | HRH3 (0.85) | HRH3CYP3A4CYP2D6 | |
| SCHEMBL4020453 | 0.92 | HRH3 (1.00) | HRH3CYP3A4CYP2D6 | |
| SCHEMBL4028362 | 0.88 | HRH3 (0.82) | HRH3CYP3A4CYP2D6 | |
| SCHEMBL8022551 | 0.88 | HRH3 (0.82) | HRH3CYP3A4CYP2D6 | |
| SCHEMBL4020966 | 0.86 | HRH3 (1.00) | HRH3CYP2D6 | |
| SCHEMBL4023048 | 0.86 | HRH3 (1.00) | HRH3CYP3A4CYP2D6 | |
| SCHEMBL4021313 | 0.85 | HRH3 (1.00) | HRH3CYP3A4CYP2D6 | |
| SCHEMBL4021657 | 0.85 | HRH3 (0.82) | HRH3CYP3A4CYP2D6 | |
| SCHEMBL4027486 | 0.85 | HRH3 (0.81) | HRH3CYP2D6 | |
| SCHEMBL4031500 | 0.84 | HRH3 (0.84) | HRH3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009095394-A1 | DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2009-08-06 | — | — | WO | disclosed |