Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 10/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.51 |
| ▸ | HTR2C | P28335 | 4/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5285969 | 1.00 | CYP2D6 (0.53) | CYP2D6HTR2AKCNH2HTR2CNAMPT | |
| SCHEMBL3152842 | 0.84 | CYP2D6 (0.73) | CYP2D6HTR2AKCNH2HTR2CPTGDR2 | |
| SCHEMBL3152834 | 0.84 | CYP2D6 (0.73) | CYP2D6HTR2AKCNH2HTR2CPTGDR2 | |
| SCHEMBL4015837 | 0.75 | HTR2A (0.48) | CYP2D6HTR2AKCNH2HTR2CNAMPT | |
| SCHEMBL4015833 | 0.75 | HTR2A (0.48) | CYP2D6HTR2AKCNH2HTR2CNAMPT | |
| SCHEMBL4021169 | 0.74 | HTR2A (0.70) | CYP2D6HTR2AKCNH2HTR2CNAMPT | |
| SCHEMBL4021174 | 0.74 | HTR2A (0.70) | CYP2D6HTR2AKCNH2HTR2CNAMPT | |
| SCHEMBL5187855 | 0.74 | HTR2A (0.66) | CYP2D6HTR2AKCNH2HTR2CMMP1 | |
| SCHEMBL5187862 | 0.74 | HTR2A (0.66) | CYP2D6HTR2AKCNH2HTR2CMMP1 | |
| SCHEMBL1423345 | 0.73 | CA12 (0.41) | CYP2D6HTR2AKCNH2HTR2CNAMPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1858852-A1 | HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2007-11-28 | — | — | EP | disclosed |
| WO-2006095205-A1 | HETEROARYLSULFONYL STILBENES AS 5-HT2A ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-14 | — | — | WO | disclosed |