Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.36 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | EEF2K | O00418 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | EEF2 | P13639 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28094721 | 0.85 | MEN1 (0.36) | MEN1KMT2ANPSR1MAPTKCNH2 | |
| SCHEMBL28115806 | 0.84 | MEN1 (0.33) | MEN1KMT2ANPSR1MAPTKCNH2 | |
| SCHEMBL14764930 | 0.80 | KDM4E (0.45) | ALDH1A1MEN1KMT2ANPSR1MAPT | |
| SCHEMBL14764354 | 0.78 | DRD2 (0.51) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL31548632 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL28115619 | 0.74 | MAPT (0.43) | ALDH1A1MEN1KMT2ANPSR1MAPT | |
| Hydrochloric Acid SCHEMBL3643437 | 0.74 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ANPSR1MAPT | |
| SCHEMBL5287940 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL5297441 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL5816941 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19MEN1 |
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 |