Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | STAT6 | P42226 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6877067 | 0.81 | KDM4E (0.36) | LMNAKDM4ENAPRTHCAR2HPGDS | |
| SCHEMBL27990278 | 0.80 | LMNA (0.40) | LMNAKDM4ENAPRTHCAR2HPGDS | |
| SCHEMBL28812317 | 0.78 | TSHR (0.41) | LMNAKDM4ENAPRTHCAR2HPGDS | |
| SCHEMBL28678178 | 0.78 | ALDH1A1 (0.46) | LMNATSHRCYP3A4SMN1; SMN2MAPT | |
| SCHEMBL28749768 | 0.77 | HPGDS (0.34) | LMNAKDM4ENAPRTHCAR2HPGDS | |
| SCHEMBL21742338 | 0.76 | TSHR (0.54) | LMNAKDM4ETSHRADRA1ACYP3A4 | |
| SCHEMBL10714457 | 0.76 | AR (0.36) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL11983421 | 0.76 | LMNA (0.43) | LMNAKDM4ENAPRTHCAR2HPGDS | |
| SCHEMBL27772497 | 0.75 | ATM (0.40) | LMNAKDM4ENAPRTHCAR2HPGDS | |
| SCHEMBL27557993 | 0.73 | LMNA (0.44) | LMNAKDM4ENAPRTHCAR2HPGDS |
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-109824653-A | 1,2,3,4- tetrahydro pyrazine -2- carboxylic acid ester compound, preparation method and applications | 华北理工大学 | 2019-05-31 | — | — | CN | disclosed |