Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | FPR1 | P21462 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RORC | P51449 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | RORB | Q92753 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1999983 | 0.84 | HSP90AA1 (0.44) | HSP90AA1HSD17B10ALDH1A1FPR1RORC | |
| SCHEMBL1999984 | 0.77 | HSP90AA1 (0.49) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR | |
| SCHEMBL5279949 | 0.73 | RORC (0.50) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR | |
| SCHEMBL4569291 | 0.73 | HSP90AA1 (0.52) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR | |
| SCHEMBL6634035 | 0.72 | ATM (0.45) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR | |
| SCHEMBL224787 | 0.72 | HSP90AA1 (0.55) | HSP90AA1HSD17B10ALDH1A1FPR1RORC | |
| SCHEMBL5966740 | 0.72 | HSP90AA1 (0.50) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR | |
| SCHEMBL8778749 | 0.71 | HSD17B10 (0.50) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR | |
| SCHEMBL11150349 | 0.70 | HSP90AA1 (0.49) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR | |
| SCHEMBL3252117 | 0.70 | CA1 (0.52) | HSP90AA1HSD17B10ALDH1A1FPR1TSHR |
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 |