Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 7/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MC4R | P32245 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PDE6D | O43924 | 1/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 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 | |
|---|---|---|---|---|
| SCHEMBL28557880 | 0.88 | ALDH1A1 (0.52) | MAPK1MEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL29411917 | 0.84 | HRH1 (0.56) | MAPK1MC4RCYP2C19MEN1ALDH1A1 | |
| SCHEMBL28487104 | 0.84 | HRH1 (0.56) | MAPK1MC4RCYP2C19MEN1ALDH1A1 | |
| SCHEMBL28561737 | 0.83 | POLB (0.46) | CFTRMAPK1MEN1ALDH1A1KMT2A | |
| SCHEMBL28552861 | 0.82 | SMN1; SMN2 (0.39) | MAPK1MC4RMEN1ALDH1A1KMT2A | |
| SCHEMBL28566726 | 0.82 | CYP1A2 (0.45) | CFTRCYP2C19MEN1ALDH1A1KMT2A | |
| SCHEMBL28558487 | 0.82 | TSHR (0.51) | MAPK1CYP2C19MEN1ALDH1A1KMT2A | |
| SCHEMBL29249923 | 0.81 | CFTR (0.56) | CFTRMAPK1MC4RPDE4APDE4B | |
| SCHEMBL28566717 | 0.81 | KDM4E (0.51) | CYP2C19MEN1ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL28550422 | 0.80 | KDM4E (0.46) | MAPK1FGFR1MEN1ALDH1A1KMT2A |
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-108752325-B | Preparation method of 3-oxyalkyl quinoxaline-2 (1H) -ketone compound | 曲阜师范大学 | 2021-03-23 | — | — | CN | disclosed |