Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30384693 | 0.80 | AHR (0.48) | HSD17B10CYP3A4MAPK1MAPTKDM4E | |
| SCHEMBL4458291 | 0.80 | AHR (0.48) | HSD17B10CYP3A4MAPK1MAPTKDM4E | |
| SCHEMBL28066782 | 0.78 | ESR1 (0.48) | ESR2ESR1MGAMGAASI | |
| SCHEMBL28106635 | 0.77 | SENP1 (0.56) | ESR2ESR1MGAMGAASI | |
| SCHEMBL10704736 | 0.77 | ESR1 (0.53) | ESR2ESR1MGAMGAASI | |
| SCHEMBL10553787 | 0.76 | SENP1 (0.48) | ESR2ESR1MGAMGAASI | |
| SCHEMBL3269166 | 0.75 | CYP2A6 (0.44) | ESR2CYP3A4MAPK1MEN1MAPT | |
| SCHEMBL29368088 | 0.75 | CYP2A6 (0.44) | ESR2CYP3A4MAPK1MEN1MAPT | |
| SCHEMBL28121322 | 0.74 | AHR (0.59) | ESR2ESR1HSD17B10CYP3A4MAPK1 | |
| SCHEMBL6273601 | 0.73 | SENP1 (0.50) | ESR2ESR1MGAMGAASI |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109942388-A | The preparation method of 1,4- cyclohexanedione | 绍兴市上虞沿江生物科技有限公司 | 2019-06-28 | — | — | CN | disclosed |