Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5502044 | 0.96 | HRH3 (0.35) | CXCR4USP2TSHRHRH3 | |
| SCHEMBL5501715 | 0.92 | HRH3 (0.34) | CXCR4HRH3 | |
| SCHEMBL5502752 | 0.85 | CXCR4 (0.47) | CXCR4CHRM2CHRM1SCN1ASCN2A | |
| SCHEMBL5506775 | 0.85 | CXCR4 (0.47) | CXCR4CHRM2CHRM1SCN1ASCN2A | |
| SCHEMBL5505202 | 0.85 | HRH3 (0.39) | CHRM2CHRM1HRH3MAOBHRH2 | |
| SCHEMBL5502494 | 0.85 | CXCR4 (0.42) | CXCR4CHRM2CHRM1USP2TSHR | |
| SCHEMBL5507033 | 0.84 | HRH3 (0.42) | CXCR4SCN1ASCN2ASCN3AACHE | |
| SCHEMBL5504002 | 0.84 | HRH3 (0.39) | USP2TSHRHRH3MAOB | |
| SCHEMBL5501569 | 0.83 | CXCR4 (0.41) | CXCR4CHRM2CHRM1SCN1ASCN2A | |
| SCHEMBL5508093 | 0.83 | USP2 (0.34) | USP2TSHRHRH3MAOBHRH2 |
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 |