Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 11/20 | 0.65 |
| ▸ | HTR2C | P28335 | 9/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.65 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3167270 | 1.00 | HTR2A (0.65) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 | |
| SCHEMBL3151871 | 0.99 | HTR2A (0.66) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 | |
| SCHEMBL3151857 | 0.99 | HTR2A (0.66) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 | |
| SCHEMBL3167264 | 0.90 | HTR2A (0.61) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 | |
| SCHEMBL3157531 | 0.89 | HTR2A (0.62) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 | |
| SCHEMBL3157527 | 0.89 | HTR2A (0.62) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 | |
| SCHEMBL4016124 | 0.83 | HTR2A (0.57) | HTR2AHTR2CKCNH2NFE2L2PTGS1 | |
| SCHEMBL4016125 | 0.83 | HTR2A (0.57) | HTR2AHTR2CKCNH2NFE2L2PTGS1 | |
| SCHEMBL3166649 | 0.81 | HTR2A (0.80) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 | |
| SCHEMBL3166639 | 0.81 | HTR2A (0.80) | HTR2AHTR2CKCNH2NFE2L2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1786768-A1 | ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS | Merck Sharp & Dohme Limited (GB) | 2007-05-23 | — | — | EP | claimed |
| WO-2006021806-A1 | ARYLSULPHONYLSTILBENE DERIVATIVES FOR TREATMENT OF INSOMNIA AND RELATED CONDITIONS | MERCK SHARP & DOHME LIMITED (GB) | 2006-03-02 | — | — | WO | claimed |
| EP-1807393-B1 | DIARYLSULFONES AS 5-HT2A ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2010-03-31 | — | — | EP | disclosed |