Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6433983 | 0.93 | CES2 (0.51) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL6419216 | 0.84 | ALDH1A1 (0.57) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL10361923 | 0.83 | KDM4E (0.52) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL6319212 | 0.83 | NQO2 (0.50) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL6319206 | 0.83 | NQO2 (0.50) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL6319210 | 0.83 | NQO2 (0.50) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL6450689 | 0.81 | ESR1 (0.55) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL5105348 | 0.79 | TBXAS1 (0.61) | KDM4EALDH1A1MAPTHPGDTBXAS1 | |
| SCHEMBL3952535 | 0.78 | MAPT (0.55) | KDM4EALDH1A1MAPTHPGDNR1I2 | |
| SCHEMBL9177747 | 0.78 | KDM4E (0.55) | KDM4EALDH1A1MAPTHPGDNR1I2 |
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-104292189-B | A kind of synthetic method of β-diethyl malonate substituted tetrahydrofuran compounds | HARBIN INSTITUTE OF TECHNOLOGY (CN) | 2016-05-04 | — | — | CN | disclosed |