Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | FLT1 | P17948 | 1/20 | 0.42 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28536348 | 0.89 | XDH (0.48) | PDK1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL5092062 | 0.87 | PDK1 (0.52) | PDK1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL16914824 | 0.86 | PDK1 (0.56) | PDK1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL6986744 | 0.86 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL28544132 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ALMNAXDH | |
| SCHEMBL28910328 | 0.85 | PDK1 (0.52) | PDK1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL9827496 | 0.84 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL28544141 | 0.83 | XDH (0.48) | ALDH1A1MEN1KMT2ALMNAXDH | |
| SCHEMBL16914839 | 0.82 | PDK1 (0.52) | PDK1ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL16961252 | 0.82 | PDK1 (0.57) | PDK1ALDH1A1MEN1KMT2ALMNA |
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-109721586-B | 5-benzyl-3-pyridyl-1H-1, 2, 4-triazole compound and preparation method and application thereof | 中国医科大学 | 2021-03-02 | — | — | CN | disclosed |