Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
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 | 0.89 | CYP2A6 (0.46) | CYP2A6HRH3ALDH1A1LOXL2KDM4E | |
| SCHEMBL12733256 | 0.83 | CYP2A6 (0.47) | CYP2A6HRH3ALDH1A1LOXL2MAPT | |
| SCHEMBL12806211 | 0.83 | HRH3 (0.44) | CYP2A6HRH3ALDH1A1LOXL2KDM4E | |
| SCHEMBL4299065 | 0.83 | CYP2A6 (0.50) | CYP2A6HRH3ALDH1A1LOXL2KDM4E | |
| SCHEMBL14516341 | 0.79 | HRH3 (0.50) | DRD2HTR2AHTR2CCYP2A6HRH3 | |
| SCHEMBL6585023 | 0.78 | CYP2A6 (0.41) | CYP2A6HRH3ALDH1A1LOXL2KDM4E | |
| SCHEMBL18867344 | 0.78 | LOXL2 (0.45) | CYP2A6HRH3ALDH1A1LOXL2KDM4E | |
| SCHEMBL5776229 | 0.78 | APP (0.46) | CYP2A6HRH3ALDH1A1LOXL2KDM4E | |
| SCHEMBL5776081 | 0.78 | L3MBTL1 (0.43) | CYP2A6HRH3ALDH1A1LOXL2HPGD | |
| SCHEMBL11671854 | 0.78 | TSHR (0.46) | DRD2HTR2AHTR2CCYP2A6HRH3 |
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 |