Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL1B | P01584 | 5/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131858 | 1.00 | IL1B (0.43) | IL1BTRPV1NLRP3KCNH2OPRD1 | |
| SCHEMBL29131887 | 0.84 | IL1B (0.51) | IL1BNLRP3KCNH2CHRM3 | |
| SCHEMBL29131882 | 0.84 | IL1B (0.51) | IL1BNLRP3KCNH2CHRM3 | |
| SCHEMBL29326138 | 0.83 | TRPV1 (0.44) | IL1BTRPV1NLRP3KCNH2OPRD1 | |
| SCHEMBL28961814 | 0.82 | IL1B (0.53) | IL1BNLRP3KCNH2DRD2VNN1 | |
| SCHEMBL28961810 | 0.82 | IL1B (0.53) | IL1BNLRP3KCNH2DRD2VNN1 | |
| SCHEMBL29131898 | 0.81 | IL1B (0.56) | IL1BTRPV1NLRP3KCNH2 | |
| SCHEMBL29131896 | 0.81 | IL1B (0.56) | IL1BTRPV1NLRP3KCNH2 | |
| SCHEMBL29131871 | 0.79 | OPRD1 (0.46) | IL1BOPRD1KDM1APRMT5APP | |
| SCHEMBL29131873 | 0.79 | OPRD1 (0.46) | IL1BOPRD1KDM1APRMT5APP |
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-116969920-A | Fused pyridazine derivative, preparation method and medical application thereof | 上海辉启生物医药科技有限公司 | 2023-10-31 | — | — | CN | disclosed |