Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.32 |
| ▸ | CASP1 | P29466 | 4/20 | 0.32 |
| ▸ | CASP7 | P55210 | 4/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.32 |
| ▸ | GLA | P06280 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17844156 | 0.85 | ADORA2B (0.36) | ADORA2BKAT2BCYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL17844168 | 0.85 | MAPK1 (0.37) | ADORA2BALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL17844144 | 0.73 | FAAH (0.40) | ADORA2BCYP2C9SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL17844132 | 0.70 | FAAH (0.39) | ADORA2BKAT2BALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL17844251 | 0.70 | FAAH (0.39) | ADORA2BALDH1A1MEN1KMT2A | |
| SCHEMBL3503724 | 0.70 | MAPT (0.45) | CYP2C9SMN1; SMN2ALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL1997463 | 0.69 | HPGD (0.36) | SMN1; SMN2ALDH1A1CYP1A2HSD17B10CASP1 | |
| SCHEMBL5186704 | 0.67 | FAAH (0.38) | ADORA2BSMN1; SMN2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL17844164 | 0.64 | KAT2B (0.38) | KAT2BCYP1A2CYP3A4CYP2D6KDM1A | |
| SCHEMBL17844070 | 0.62 | FAAH (0.40) | ADORA2BKAT2BALDH1A1GLATSHR |
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 |