Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | HRH2 | P25021 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 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 | |
|---|---|---|---|---|
| SCHEMBL6967039 | 0.90 | KCNA5 (0.32) | CHRM2CHRM5CHRM1ADRA2BSLC6A2 | |
| SCHEMBL6966027 | 0.85 | XIAP (0.33) | CYP2C9L3MBTL1XIAPBIRC2MAPT | |
| SCHEMBL6960435 | 0.85 | HCAR2 (0.31) | CHRM2CHRM5CHRM1ADRA2BSLC6A2 | |
| SCHEMBL6973234 | 0.82 | GSK3B (0.31) | — | |
| SCHEMBL6957241 | 0.81 | KCNA5 (0.35) | SLC6A2SLC6A4KCNH2KCNA5 | |
| SCHEMBL5642014 | 0.72 | CYP3A4 (0.37) | CHRM2CHRM5CHRM1ADRA2BSLC6A2 | |
| SCHEMBL8349719 | 0.71 | KCNA5 (0.37) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL5853119 | 0.70 | TACR1 (0.34) | — | |
| SCHEMBL5853041 | 0.68 | GSK3B (0.31) | — | |
| SCHEMBL6957035 | 0.68 | KCNA5 (0.35) | SLC6A4KCNA5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0786455-B1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO (JP) | 2003-12-03 | — | — | EP | disclosed |
| US-6147097-A | METHOD FOR TREATING AIDS | SHIONOGI & CO., LTD. (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5910506-A | IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC | SHIONOGI & CO., LTD. (JP) | 1999-06-08 | — | — | US | disclosed |
| EP-0786455-A1 | IMIDAZOLE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 1997-07-30 | — | — | EP | disclosed |