Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALPG | P10696 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28910328 | 0.89 | PDK1 (0.52) | XDHALDH1A1MAPTPDK1KDM4E | |
| SCHEMBL28536348 | 0.86 | XDH (0.48) | XDHALDH1A1MAPTPDK1KDM4E | |
| SCHEMBL11682060 | 0.85 | XDH (0.52) | XDHALDH1A1MAPTPDK1KDM4E | |
| SCHEMBL28540282 | 0.83 | MAPT (0.48) | XDHALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL11781227 | 0.82 | XDH (0.47) | XDHALDH1A1MAPTPDK1KDM4E | |
| SCHEMBL28911094 | 0.81 | MAPT (0.52) | ALDH1A1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL28538750 | 0.81 | XDH (0.47) | XDHALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL28539571 | 0.80 | MAPT (0.59) | ALDH1A1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL28547234 | 0.79 | MAPT (0.60) | ALDH1A1MAPTKDM4ELMNAMEN1 | |
| SCHEMBL28539551 | 0.78 | MAPT (0.59) | ALDH1A1MAPTKDM4ELMNAMEN1 |
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-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 |
| CN-109721586-A | A kind of 5- benzyl -3- pyridyl group -1H-1,2,4- triazole class compounds and its preparation method and application | 中国医科大学 | 2019-05-07 | — | — | CN | disclosed |