Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | CASP3 | P42574 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 2/20 | 0.43 |
| ▸ | LYN | P07948 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5613996 | 0.90 | MAPT (0.46) | KDM1ACASP3JAK2LYNSRC | |
| SCHEMBL5607270 | 0.83 | KDM1A (0.47) | KDM1ACASP3JAK2CYP1A1CYP1A2 | |
| SCHEMBL5613827 | 0.76 | KDM1A (0.49) | KDM1AMAPTGAAALDH1A1HTT | |
| SCHEMBL5607055 | 0.72 | DGAT1 (0.48) | CYP1A2MAPTGAAHTTSMN1; SMN2 | |
| SCHEMBL3487718 | 0.70 | NR1H2 (0.58) | KDM1AJAK2LYNSRCCYP1A1 | |
| SCHEMBL5185885 | 0.70 | LMNA (0.43) | CYP1A2MAPTGAAALDH1A1NPC1 | |
| SCHEMBL17844060 | 0.69 | KDM4E (0.48) | MAPTGAAALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL30855000 | 0.69 | KDM1A (0.65) | KDM1AJAK2CYP1A2MAPTGAA | |
| SCHEMBL5606238 | 0.68 | PGR (0.38) | MAPTALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL7980595 | 0.66 | MAPT (0.62) | KDM1AJAK2CYP1A2MAPTGAA |
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 |