Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25383309 | 0.81 | MEN1 (0.45) | KDM4EHSP90AA1MAP4K4MEN1KMT2A | |
| SCHEMBL4796549 | 0.79 | KDM4E (0.47) | KEAP1ALDH1A1KDM4EMAP4K4POLB | |
| SCHEMBL20605542 | 0.79 | MAP4K4 (0.40) | KEAP1ALDH1A1KDM4EMAP4K4POLB | |
| SCHEMBL4797866 | 0.79 | MAP4K4 (0.40) | KEAP1ALDH1A1KDM4EHSP90AA1MAP4K4 | |
| SCHEMBL12593846 | 0.79 | KEAP1 (0.62) | KEAP1ALDH1A1KDM4EMAP4K4POLB | |
| SCHEMBL4799464 | 0.78 | ALOX5AP (0.44) | KEAP1ALDH1A1KDM4EMAP4K4POLB | |
| SCHEMBL4796604 | 0.78 | KMT2A (0.49) | KEAP1ALDH1A1KDM4EPOLBMEN1 | |
| SCHEMBL30354890 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAP4K4POLBPDE10A | |
| SCHEMBL9007828 | 0.77 | SMN1; SMN2 (0.56) | KEAP1ALDH1A1KDM4EHSP90AA1MAP4K4 | |
| SCHEMBL4797567 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4EMAP4K4POLBPDE10A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107141293-B | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-115057861-A | Nitrogen-containing heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2022-09-16 | — | — | CN | disclosed |