Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CA9 | Q16790 | 5/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.48 |
| ▸ | FEN1 | P39748 | 3/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | EDNRB | P24530 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11161303 | 0.75 | CA12 (0.72) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL11781981 | 0.74 | CA12 (0.50) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL7265174 | 0.72 | HTR6 (0.50) | FEN1HTR6 | |
| SCHEMBL3249669 | 0.71 | HTR6 (0.73) | CA1CA2CA9FEN1HTR6 | |
| SCHEMBL6548757 | 0.69 | ALDH1A1 (0.54) | CA12CA1CA2HTR6 | |
| SCHEMBL6839467 | 0.69 | CA12 (0.48) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL257771 | 0.68 | MEN1 (0.46) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL15853165 | 0.68 | CYP11B1 (0.52) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL29892474 | 0.68 | ALDH1A1 (0.44) | CA12CA1CA2CA9MCL1 | |
| SCHEMBL17847460 | 0.68 | MCL1 (0.43) | CA12CA1CA2CA9MCL1 |
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-1824817-B1 | ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2009-02-04 | — | — | EP | disclosed |