Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28544132 | 0.88 | ALDH1A1 (0.48) | XDHALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL28544205 | 0.86 | MAPT (0.52) | ALDH1A1KDM4EMAPTNPC1ALPG | |
| SCHEMBL28538750 | 0.86 | XDH (0.47) | XDHALDH1A1KDM4ETDP1MAPT | |
| SCHEMBL28547215 | 0.85 | ALDH1A1 (0.60) | XDHALDH1A1KDM4EMAPTNPC1 | |
| SCHEMBL27533623 | 0.85 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTNPC1ALPG | |
| SCHEMBL28534169 | 0.84 | MAPT (0.59) | ALDH1A1KDM4EMAPTALPGLMNA | |
| SCHEMBL2057179 | 0.84 | RAB9A (0.58) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL28534185 | 0.83 | MAPT (0.58) | ALDH1A1MAPTALPGLMNANPSR1 | |
| SCHEMBL28538792 | 0.83 | MAPT (0.58) | ALDH1A1MAPTALPGLMNANPSR1 | |
| SCHEMBL2057147 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTNPC1ALPG |
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 |