Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.51 |
| ▸ | CXCR4 | P61073 | 6/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5505552 | 0.86 | HRH3 (0.48) | HRH3CXCR4OPRM1ACHE | |
| SCHEMBL5508034 | 0.84 | HRH3 (0.44) | HRH3CXCR4 | |
| SCHEMBL5506426 | 0.81 | HRH3 (0.43) | HRH3CXCR4 | |
| SCHEMBL5505526 | 0.81 | HRH3 (0.43) | HRH3CXCR4 | |
| SCHEMBL5502757 | 0.81 | CXCR4 (0.48) | HRH3CXCR4ACHE | |
| SCHEMBL5505804 | 0.81 | HRH3 (0.43) | HRH3CXCR4 | |
| SCHEMBL5506778 | 0.81 | CXCR4 (0.48) | HRH3CXCR4ACHE | |
| SCHEMBL5507035 | 0.79 | HRH3 (0.45) | HRH3CXCR4 | |
| SCHEMBL4386913 | 0.78 | HRH3 (0.62) | HRH3ACHE | |
| SCHEMBL5508279 | 0.78 | HRH3 (0.40) | HRH3CXCR4 |
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 |