Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 6/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 3/20 | 0.35 |
| ▸ | JAK3 | P52333 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | ABHD6 | Q9BV23 | 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 | |
|---|---|---|---|---|
| SCHEMBL5613807 | 0.97 | MTOR (0.36) | MTORPIK3CANR1H2NR1H3NAMPT | |
| SCHEMBL4474865 | 0.94 | MTOR (0.42) | MTORPIK3CANR1H2NR1H3NAMPT | |
| SCHEMBL4474868 | 0.91 | MTOR (0.40) | MTORPIK3CANR1H2NR1H3NAMPT | |
| SCHEMBL3489514 | 0.87 | ESR2 (0.46) | MTORPIK3CANR1H2NR1H3NAMPT | |
| SCHEMBL3489517 | 0.81 | ESR2 (0.45) | MTORPIK3CANR1H2NAMPTTMEM97 | |
| SCHEMBL5606877 | 0.77 | NR1H2 (0.38) | NR1H2NR1H3ALDH1A1MAPT | |
| SCHEMBL3486729 | 0.77 | TMPRSS2 (0.38) | NR1H2NR1H3NAMPTTMEM97SIGMAR1 | |
| SCHEMBL3488135 | 0.77 | ACVR1 (0.42) | NR1H2NR1H3NAMPTTMEM97SIGMAR1 | |
| SCHEMBL3487580 | 0.76 | NR1H2 (0.54) | NR1H2NR1H3JAK2ALDH1A1MAPT | |
| SCHEMBL3488288 | 0.76 | CA12 (0.41) | NR1H2NR1H3ALDH1A1MAPT |
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 |