Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 10/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21333896 | 0.88 | SLC22A12 (0.46) | SLC22A12KDM4EALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL21331804 | 0.87 | SLC22A12 (0.48) | SLC22A12KDM4EALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL21331818 | 0.87 | SLC22A12 (0.46) | SLC22A12KDM4EALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL21331864 | 0.87 | CYP2C9 (0.52) | SLC22A12KDM4EALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL21334005 | 0.85 | SLC22A12 (0.44) | SLC22A12KDM4EALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL21350535 | 0.84 | SLC22A12 (0.66) | SLC22A12KDM4EALDH1A1HSD17B10 | |
| SCHEMBL21331844 | 0.84 | SLC22A12 (0.46) | SLC22A12KDM4EALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL28411844 | 0.81 | PTGDR2 (0.41) | SLC22A12KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL28418713 | 0.80 | SLC22A12 (0.40) | SLC22A12KDM4ECYP2C9CYP1A2HIF1A | |
| SCHEMBL28413899 | 0.78 | SLC22A12 (0.72) | SLC22A12CYP2C9CYP1A2 |
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-108440397-B | 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof | 南方医科大学 | 2020-06-05 | — | — | CN | disclosed |