Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3861449 | 0.85 | MAPT (0.41) | HTTMAPTMAPK1CYP3A4 | |
| SCHEMBL28115615 | 0.76 | MAOB (0.47) | HTTMAPTMAPK1CYP3A4 | |
| SCHEMBL28115962 | 0.73 | KEAP1 (0.38) | MAPT | |
| SCHEMBL30720445 | 0.71 | CHRNB2 (0.45) | HTTMAPTMAPK1CYP2A6CYP3A4 | |
| SCHEMBL27557204 | 0.71 | CHRNB2 (0.42) | HTTMAPTMAPK1CYP2A6CYP3A4 | |
| SCHEMBL2731119 | 0.69 | MAPT (0.73) | HTTMAPTMAPK1CHRNB2CHRNA4 | |
| SCHEMBL21864339 | 0.68 | SMN1; SMN2 (0.38) | MAPTMAPK1CYP3A4CHRNB2CHRNA4 | |
| SCHEMBL28252032 | 0.67 | LMNA (0.37) | HTTCHRNA4SLC6A2SLC6A4SLC6A3 | |
| Iodide SCHEMBL27085276 | 0.67 | NPC1 (0.37) | MAPTMAPK1CYP3A4CHRNB2CHRNA4 | |
| SCHEMBL29366505 | 0.67 | CYP2A6 (0.44) | HTTMAPTCYP2A6CYP3A4CHRNB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106234385-B | A kind of application of 1,2,4- triazole derivatives of the structure containing benzopyrazines as fungicide | 浙江工业大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-106432245-B | A kind of 1,2,4- triazole derivatives of the structure containing benzopyrazines and its preparation method and application | 浙江工业大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-106432245-A | 1,2,4-triazole derivative having quinoxaline structure, preparation method and application thereof | 浙江工业大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-106234385-A | A kind of 1,2,4 triazole derivatives containing benzopyrazines structure are as the application of antibacterial | 浙江工业大学 | 2016-12-21 | — | — | CN | disclosed |