Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 5/20 | 0.36 |
| ▸ | CASP7 | P55210 | 3/20 | 0.36 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP2 | P42575 | 1/20 | 0.34 |
| ▸ | CASP4 | P49662 | 1/20 | 0.34 |
| ▸ | CASP9 | P55211 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 1/20 | 0.34 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23665886 | 0.88 | SMYD2 (0.37) | CASP3CASP7SMYD2HTR7HTR1A | |
| SCHEMBL23665854 | 0.87 | CASP3 (0.34) | CASP3CASP7SMYD2HTR7HTR1A | |
| SCHEMBL23665881 | 0.87 | SMYD2 (0.37) | CASP3CASP7SMYD2HTR7HTR1A | |
| SCHEMBL31620808 | 0.85 | CASP3 (0.35) | CASP3CASP7SMYD2HTR7HTR1A | |
| SCHEMBL23665849 | 0.82 | SMYD2 (0.36) | CASP3CASP7SMYD2HTR7HTR1A | |
| SCHEMBL23665860 | 0.81 | SMYD2 (0.35) | CASP3CASP7SMYD2HTR7HTR1A | |
| SCHEMBL25906381 | 0.79 | CHRNB2 (0.50) | CHRNB2CHRNA5CHRNA7CHRNA4 | |
| SCHEMBL22554969 | 0.77 | SMYD2 (0.39) | SMYD2HTR1ADRD2HTR2AHTR2C | |
| SCHEMBL22554967 | 0.77 | SMYD2 (0.39) | SMYD2HTR1ADRD2HTR2AHTR2C | |
| SCHEMBL29945202 | 0.77 | CHRNB4 (0.43) | CHRNB2CHRNA5CHRNA7CHRNA4 |
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-115151553-A | Boronic acid derivatives | 首药控股(北京)股份有限公司 | 2022-10-04 | — | — | CN | disclosed |
| WO-2021143923-A1 | BORONIC ACID DERIVATIVES | 首药控股(北京)股份有限公司 | 2021-07-22 | — | — | WO | disclosed |
| CN-113135943-A | Boronic acid derivatives | 首药控股(北京)有限公司 | 2021-07-20 | — | — | CN | disclosed |