Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | 0.89 | MAPT (0.41) | MAOBMAPTRAB9AMEN1KMT2A | |
| SCHEMBL21864339 | 0.72 | SMN1; SMN2 (0.38) | MAOBMAPTRAB9AMEN1KMT2A | |
| SCHEMBL1009010 | 0.72 | MAPT (0.36) | MAOBMAPTRAB9AMEN1KMT2A | |
| SCHEMBL10966975 | 0.69 | MAPT (0.49) | MAOBMAPTRAB9AMEN1KMT2A | |
| SCHEMBL19315410 | 0.69 | MAPT (0.49) | MAOBMAPTRAB9AMEN1KMT2A | |
| SCHEMBL8997500 | 0.68 | NPC1 (0.38) | MAPTRAB9AMEN1KMT2AGAA | |
| SCHEMBL13183114 | 0.68 | CHRNA7 (0.39) | MAOBMAPTRAB9ANPC1KDM4E | |
| SCHEMBL171804 | 0.65 | MAPT (0.62) | MAPTRAB9AMEN1KMT2ANPC1 | |
| SCHEMBL8942576 | 0.64 | TP53 (0.46) | MAOBADORA3MAPTRAB9AMEN1 | |
| SCHEMBL28652659 | 0.64 | MAPT (0.45) | MAOBMAPTRAB9AMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |