Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL20741495 | 1.00 | KCNH2 (0.44) | KCNH2MAPTGAAHSD17B10ACACB | |
| SCHEMBL30842218 | 0.85 | NLRP3 (0.54) | KCNH2MAPTGAAHSD17B10NLRP3 | |
| SCHEMBL20475982 | 0.85 | NLRP3 (0.54) | KCNH2MAPTGAAHSD17B10NLRP3 | |
| SCHEMBL20475984 | 0.83 | KCNH2 (0.42) | KCNH2MAPTGAAHSD17B10ACACB | |
| SCHEMBL30842202 | 0.83 | KCNH2 (0.42) | KCNH2MAPTGAAHSD17B10ACACB | |
| SCHEMBL22016160 | 0.79 | GABRG2 (0.37) | KCNH2ACACBNLRP3MAPK1GABRA1 | |
| SCHEMBL29280825 | 0.77 | PIK3R1 (0.42) | MAPTPIK3R1PIK3CAPDE1BALDH1A1 | |
| SCHEMBL19503120 | 0.76 | TLR7 (0.49) | PDE1BALDH1A1 | |
| SCHEMBL20475953 | 0.76 | MMP1 (0.43) | PIK3R1PIK3CAPDE1BMAPK8 | |
| SCHEMBL20475942 | 0.76 | TSPO (0.42) | PIK3R1PIK3CAPDE1BMAPK8 |
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-110325534-B | Substituted imidazoquinolines as NLRP3 modulators | 先天肿瘤免疫公司 | 2024-04-05 | — | — | CN | disclosed |