Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 2/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 5/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SOD3 | P08294 | 2/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL4796334 | 0.77 | LCK (0.43) | KDM4EHTR3AHRH4 | |
| SCHEMBL1514879 | 0.73 | SLC6A4 (0.50) | SIGMAR1KDM4EHTR3AHRH4 | |
| SCHEMBL4665313 | 0.72 | SIGMAR1 (0.47) | SIGMAR1KDM4ELMNAHTR3AHRH4 | |
| Toluene SCHEMBL4272750 | 0.72 | SIGMAR1 (0.57) | SIGMAR1SOD3HRH2HRH1KDM4E | |
| Indole SCHEMBL27482163 | 0.72 | TRPA1 (0.47) | SIGMAR1SOD3HRH2HRH1KDM4E | |
| Benzotriazole SCHEMBL27924338 | 0.72 | SOD3 (0.45) | SLC2A1SIGMAR1SOD3HRH2HRH1 | |
| SCHEMBL825220 | 0.71 | SLC2A1 (0.40) | SLC2A1SIGMAR1SOD3KDM4ELMNA | |
| SCHEMBL28607201 | 0.71 | L3MBTL1 (0.47) | SIGMAR1SOD3HRH2HRH1KDM4E | |
| SCHEMBL41506 | 0.71 | LCK (0.50) | KDM4EHTR3AHRH4 | |
| SCHEMBL29509257 | 0.71 | LCK (0.50) | KDM4EHTR3AHRH4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112321515-A | Preparation method of chiral 1-tert-butyl-3-methyl-6-methylpiperazine-1, 3-diformate | 上海馨远医药科技有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-111253325-A | Amino quinazoline aryl piperazine compound and pharmaceutical composition and application thereof | 广州大学 | 2020-06-09 | — | — | CN | disclosed |
| CN-111253325-A | Amino quinazoline aryl piperazine compound and pharmaceutical composition and application thereof | 广州大学 | 2020-06-09 | — | — | CN | disclosed |