Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 11/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4384502 | 0.72 | HRH3 (0.40) | CXCR4HRH3CYP2D6CYP3A4CYP1A2 | |
| SCHEMBL1787100 | 0.72 | HRH3 (0.42) | HRH3 | |
| SCHEMBL22852502 | 0.72 | HRH3 (0.42) | HRH3 | |
| SCHEMBL10998848 | 0.70 | ACHE (0.47) | HRH3 | |
| SCHEMBL4966539 | 0.70 | ACHE (0.42) | HRH3 | |
| SCHEMBL4966546 | 0.70 | ACHE (0.42) | HRH3 | |
| SCHEMBL23828668 | 0.70 | HRH3 (0.52) | CXCR4HRH3 | |
| SCHEMBL23828676 | 0.70 | HRH3 (0.52) | CXCR4HRH3 | |
| SCHEMBL13544153 | 0.69 | ACHE (0.50) | HRH3 | |
| SCHEMBL23828666 | 0.68 | HRH3 (0.50) | CXCR4HRH3 |
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 |