Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29113477 | 1.00 | DRD1 (0.41) | DRD1HTR1DHTR1BHSD17B3GAA | |
| SCHEMBL28291022 | 0.93 | DRD1 (0.44) | DRD1HTR1DHTR1BHSD17B3GAA | |
| SCHEMBL30612406 | 0.93 | DRD1 (0.44) | DRD1HTR1DHTR1BHSD17B3GAA | |
| SCHEMBL17797651 | 0.91 | DRD2 (0.43) | HSD17B3CXCR3DRD2NR1H2HRH3 | |
| SCHEMBL17797568 | 0.84 | NR1H2 (0.43) | CXCR3DRD2NR1H2HRH3CYP2D6 | |
| SCHEMBL25833038 | 0.84 | BRD4 (0.38) | HSD17B3CXCR3DRD2NR1H2HRH3 | |
| SCHEMBL23010590 | 0.83 | HRH1 (0.45) | CXCR3HRH3 | |
| SCHEMBL28587390 | 0.82 | CARM1 (0.41) | HSD17B3CXCR3HRH3 | |
| SCHEMBL17797555 | 0.81 | HRH3 (0.47) | NR1H2HRH3CYP2D6BRD4ATAD2 | |
| SCHEMBL17797647 | 0.81 | BRD4 (0.47) | DRD1HSD17B3DRD2HRH3KCNH2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109810111-B | Pyrazolopyrimidine compound, and preparation method and application thereof | 上海医药集团股份有限公司 | 2023-10-27 | — | — | CN | disclosed |