Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | ASAH1 | Q13510 | 5/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2001616 | 0.92 | CA12 (0.40) | ASAH1CA12CA9CA2ALDH1A1 | |
| SCHEMBL2001548 | 0.86 | NR1H2 (0.49) | NR1H2NR1H3ASAH1CA12CA9 | |
| SCHEMBL1999999 | 0.79 | NR1H2 (0.52) | NR1H2NR1H3CA12CA9CA2 | |
| SCHEMBL2000527 | 0.78 | NR1H2 (0.44) | NR1H2NR1H3CA12CA9ALDH1A1 | |
| SCHEMBL2000223 | 0.75 | CA12 (0.44) | NR1H2NR1H3ASAH1CA12CA9 | |
| SCHEMBL2001057 | 0.74 | NR1H2 (0.51) | NR1H2NR1H3CA12CA9CA2 | |
| SCHEMBL1999665 | 0.74 | NR1H2 (0.51) | NR1H2NR1H3CA12CA9CA2 | |
| SCHEMBL1997744 | 0.73 | NR1H2 (0.45) | NR1H2NR1H3CA12CA9CA2 | |
| SCHEMBL2002953 | 0.72 | NR1H2 (0.47) | NR1H2NR1H3CA12CA9CA2 | |
| SCHEMBL5186782 | 0.72 | KDM4E (0.43) | ASAH1CA12CA9ALDH1A1MAPT |
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-1838687-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073366-A1 | NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |