Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | CHKA | P35790 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL10104324 | 0.80 | NOS1 (0.40) | KDM4EALDH1A1LTA4HSLC6A4HRH3 | |
| SCHEMBL6648423 | 0.79 | HRH3 (0.51) | LTA4HHRH3CCR2SIGMAR1CHKA | |
| SCHEMBL3576244 | 0.79 | SIGMAR1 (0.60) | ALDH1A1LTA4HHRH3CCR2SIGMAR1 | |
| SCHEMBL4928468 | 0.78 | SIGMAR1 (0.58) | HRH3CCR2SLC6A3SIGMAR1HTR7 | |
| SCHEMBL6650144 | 0.78 | CYP1A2 (0.53) | LTA4HSLC6A4HRH3CCR2SLC6A3 | |
| SCHEMBL3562916 | 0.78 | SIGMAR1 (0.59) | ALDH1A1LTA4HSLC6A4HRH3CCR2 | |
| SCHEMBL11144109 | 0.77 | SIGMAR1 (0.57) | HRH3CCR2SLC6A3SIGMAR1HTR7 | |
| SCHEMBL7549752 | 0.77 | CCR2 (0.69) | CCR2 | |
| SCHEMBL11190179 | 0.76 | CHRM3 (0.42) | DRD2HTR7 | |
| SCHEMBL23421197 | 0.76 | ACHE (0.42) | KDM4EALDH1A1SLC6A4HRH3SLC6A3 |
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 |