Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 13/20 | 0.50 |
| ▸ | HRH2 | P25021 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13618783 | 0.79 | CYP2A6 (0.46) | HRH3SLC6A4 | |
| SCHEMBL3576244 | 0.79 | SIGMAR1 (0.60) | HRH3CCR2SIGMAR1 | |
| SCHEMBL4928468 | 0.78 | SIGMAR1 (0.58) | HRH3CCR2SIGMAR1 | |
| SCHEMBL3562916 | 0.78 | SIGMAR1 (0.59) | HRH3SLC6A4CCR2SIGMAR1 | |
| SCHEMBL11144109 | 0.77 | SIGMAR1 (0.57) | HRH3CCR2SIGMAR1 | |
| SCHEMBL6585023 | 0.76 | CYP2A6 (0.41) | HRH3SLC6A4 | |
| SCHEMBL4239226 | 0.76 | HRH3 (0.55) | HRH3HRH2HRH1KCNJ1KCNH2 | |
| SCHEMBL6648423 | 0.76 | HRH3 (0.51) | HRH3CCR2SIGMAR1 | |
| SCHEMBL6420983 | 0.75 | SIGMAR1 (0.49) | HRH3SLC6A4CCR2SIGMAR1 | |
| SCHEMBL30239667 | 0.75 | KDM4E (0.49) | HRH3SLC6A4CCR2SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110698432-B | Benzyl piperazine compound, preparation method thereof and application thereof in antivirus | 中国医学科学院医药生物技术研究所 | 2023-02-03 | — | — | CN | claimed |
| CN-110698432-B | Benzyl piperazine compound, preparation method thereof and application thereof in antivirus | 中国医学科学院医药生物技术研究所 | 2023-02-03 | — | — | CN | disclosed |