Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR7 | P34969 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | STK10 | O94804 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3487302 | 0.95 | NR1H2 (0.43) | NR1H2NR1H3DRD2HTR1AHTR2A | |
| SCHEMBL5607249 | 0.92 | NR1H2 (0.43) | NR1H2NR1H3DRD2HTR1AHTR2A | |
| SCHEMBL3487580 | 0.90 | NR1H2 (0.54) | NR1H2NR1H3DRD2MAPTDRD4 | |
| SCHEMBL5606877 | 0.86 | NR1H2 (0.38) | NR1H2NR1H3DRD2HTR1AHTR2A | |
| SCHEMBL3487718 | 0.86 | NR1H2 (0.58) | NR1H2NR1H3MAPTIGF1RALDH1A1 | |
| SCHEMBL3488220 | 0.83 | MAPT (0.46) | NR1H2NR1H3MAPTALDH1A1MEN1 | |
| SCHEMBL3487587 | 0.79 | NR1H2 (0.51) | NR1H2NR1H3DRD2HTR1AHTR2A | |
| SCHEMBL2000112 | 0.78 | ALDH1A1 (0.42) | NR1H2NR1H3DRD2HTR1AHTR2A | |
| SCHEMBL3488372 | 0.78 | NR1H2 (0.53) | NR1H2NR1H3MAPTIGF1RALDH1A1 | |
| SCHEMBL5607251 | 0.77 | NR1H2 (0.54) | NR1H2NR1H3MAPTIGF1RALDH1A1 |
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-1838686-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | AstraZeneca AB (SE) | 2007-10-03 | — | — | EP | disclosed |
| WO-2006073363-A1 | DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS | ASTRAZENECA AB (SE) | 2006-07-13 | — | — | WO | disclosed |