Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL42391 | 0.92 | ERN1 (0.42) | ERN1PKMKDM4EALDH1A1PTPN1 | |
| SCHEMBL29921177 | 0.75 | KDM4E (0.42) | ERN1PKMKDM4EALDH1A1PARP1 | |
| SCHEMBL249018 | 0.75 | KDM4E (0.42) | ERN1PKMKDM4EALDH1A1PARP1 | |
| SCHEMBL16958007 | 0.75 | NFE2L2 (0.41) | PKMALDH1A1RELACES2CES1 | |
| SCHEMBL5087817 | 0.74 | CES2 (0.45) | ERN1KDM4EALDH1A1PARP1PTPN1 | |
| SCHEMBL21676108 | 0.73 | AMY1A (0.37) | PKMKDM4EALDH1A1RELA | |
| SCHEMBL27918002 | 0.73 | KEAP1 (0.44) | ERN1KDM4EALDH1A1PARP1PTPN1 | |
| SCHEMBL21662131 | 0.73 | RELA (0.49) | ERN1PTPN1RELA | |
| SCHEMBL2523960 | 0.72 | DGAT1 (0.50) | ERN1PKMALDH1A1PARP1KEAP1 | |
| SCHEMBL4363014 | 0.72 | ERN1 (0.46) | ERN1KDM4EALDH1A1PTPN1CES2 |
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-105732591-B | Substituted diethylenediamine compound and its application method and purposes | 广东东阳光药业有限公司 | 2019-10-25 | — | — | CN | disclosed |