Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5505555 | 0.86 | HRH3 (0.51) | HRH3CXCR4OPRM1ACHE | |
| SCHEMBL5508033 | 0.82 | HRH3 (0.42) | HRH3CXCR4 | |
| SCHEMBL5507033 | 0.81 | HRH3 (0.42) | HRH3CXCR4ACHE | |
| SCHEMBL5506424 | 0.79 | HRH3 (0.41) | HRH3CXCR4 | |
| SCHEMBL5506775 | 0.79 | CXCR4 (0.47) | HRH3CXCR4ACHE | |
| SCHEMBL5502752 | 0.79 | CXCR4 (0.47) | HRH3CXCR4ACHE | |
| SCHEMBL5505798 | 0.79 | HRH3 (0.41) | HRH3CXCR4 | |
| SCHEMBL5505523 | 0.79 | HRH3 (0.41) | HRH3CXCR4 | |
| SCHEMBL5508273 | 0.79 | HRH3 (0.37) | HRH3CXCR4 | |
| SCHEMBL5502174 | 0.77 | HRH3 (0.44) | HRH3CXCR4ACHE |
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-1847530-A1 | DIAMINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2007-10-24 | — | — | EP | disclosed |