Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | CASP7 | P55210 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| SCHEMBL28845153 | 0.77 | HSD17B1 (0.40) | HSD17B1HSP90AA1HSP90AB1CNR2KDM4E | |
| SCHEMBL1884351 | 0.67 | LMNA (0.40) | FYNHSD17B1HSP90AA1HSP90AB1MAOB | |
| SCHEMBL1760478 | 0.65 | ALOX15 (0.54) | HSD17B1HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL10290603 | 0.64 | MAPT (0.48) | HSD17B1HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL7141402 | 0.63 | AR (0.33) | KDM4EGAAHSD17B10MAPTTSHR | |
| SCHEMBL11038842 | 0.63 | ESR1 (0.48) | HSD17B1HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL22203769 | 0.62 | CNR2 (0.39) | HSD17B1HSP90AA1HSP90AB1CNR2KDM4E | |
| SCHEMBL28147146 | 0.61 | HSD17B1 (0.42) | FYNHSD17B1HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL9318708 | 0.61 | ALOX15 (0.56) | HSD17B1HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL6040093 | 0.61 | ALOX15 (0.56) | KDM4EALDH1A1GAAHPGDCASP1 |
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-106892861-A | A kind of Ai Le replaces the preparation method of Buddhist nun's intermediate | 湖南博奥德生物医药技术开发有限公司 | 2017-06-27 | — | — | CN | disclosed |