Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Propylamine SCHEMBL11279812 | 0.83 | HTR1A (0.37) | MAPTTAAR1SIGMAR1LMNAHTR1A | |
| SCHEMBL31548632 | 0.75 | NPC1 (0.33) | HPGD | |
| SCHEMBL28115961 | 0.74 | ALDH1A1 (0.41) | MAPTNPSR1MAPK1LMNAGRM2 | |
| SCHEMBL28115615 | 0.72 | MAOB (0.47) | MAPTNPSR1MAPK1LMNAMAOB | |
| SCHEMBL28115964 | 0.70 | SIGMAR1 (0.50) | MAPTSIGMAR1LMNAALDH1A1KMT2A | |
| SCHEMBL21864339 | 0.69 | SMN1; SMN2 (0.38) | MAPTNPSR1MAPK1SIGMAR1LMNA | |
| SCHEMBL31548634 | 0.69 | SIGMAR1 (0.44) | SIGMAR1HTR1ADRD2ALDH1A1 | |
| Iodide SCHEMBL27085276 | 0.68 | NPC1 (0.37) | MAPTNPSR1MAPK1SIGMAR1DRD2 | |
| SCHEMBL28094721 | 0.67 | MEN1 (0.36) | MAPTNPSR1SIGMAR1POLBDRD2 | |
| SCHEMBL28115806 | 0.66 | MEN1 (0.33) | MAPTNPSR1POLBMEN1KMT2A |
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 |