Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764819 | 0.72 | DRD2 (0.51) | SIGMAR1LMNAMAPTKMT2AL3MBTL1 | |
| SCHEMBL28115619 | 0.70 | MAPT (0.43) | SIGMAR1LMNAMAPTKMT2AALDH1A1 | |
| SCHEMBL14764534 | 0.69 | DRD2 (0.53) | SIGMAR1LMNAMAPTKMT2AL3MBTL1 | |
| SCHEMBL31548632 | 0.68 | NPC1 (0.33) | NPC1RAB9A | |
| SCHEMBL28115961 | 0.67 | ALDH1A1 (0.41) | LMNAKDM4EMAPTKMT2AALDH1A1 | |
| SCHEMBL30579890 | 0.67 | SIGMAR1 (0.47) | SIGMAR1LMNAKDM4EMAPTKMT2A | |
| SCHEMBL6450318 | 0.66 | SIGMAR1 (0.67) | SIGMAR1LMNAKDM4EMAPTALDH1A1 | |
| SCHEMBL1950743 | 0.65 | CYP11B1 (1.00) | SIGMAR1CYP11B1CYP11B2 | |
| SCHEMBL1548440 | 0.64 | SIGMAR1 (0.50) | SIGMAR1LTA4HKDM4EMAPTKMT2A | |
| SCHEMBL15429645 | 0.63 | CMA1 (0.58) | SIGMAR1LMNAKDM4EMAPTKMT2A |
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 |