Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.37 |
| ▸ | SCN4A | P35499 | 1/20 | 0.37 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.37 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | SCN11A | Q9UI33 | 1/20 | 0.37 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.37 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22565121 | 0.92 | NCF1 (0.41) | CHRM5ADRA2CACHESIGMAR1EPHX2 | |
| SCHEMBL24866010 | 0.88 | GBA1 (0.36) | CHRM5ADRA2CACHEEPHX2OPRM1 | |
| SCHEMBL27267884 | 0.88 | ACHE (0.37) | CHRM5ADRA2CACHESIGMAR1EPHX2 | |
| SCHEMBL25571577 | 0.87 | CYP1A2 (0.36) | CHRM5ADRA2CACHESCN1ASCN4A | |
| SCHEMBL24480845 | 0.86 | — | — | |
| SCHEMBL24920953 | 0.86 | SIGMAR1 (0.37) | SIGMAR1 | |
| SCHEMBL27268168 | 0.86 | SIGMAR1 (0.33) | CHRM5ADRA2CACHESIGMAR1EPHX2 | |
| SCHEMBL24920944 | 0.86 | SIGMAR1 (0.37) | SIGMAR1 | |
| SCHEMBL25001356 | 0.86 | SIGMAR1 (0.41) | CHRM5ADRA2CACHESCN1ASCN4A | |
| SCHEMBL24480581 | 0.84 | NCF1 (0.34) | CHRM5ADRA2CACHESIGMAR1OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023006088-A1 | COMPOUND FOR EGFR KINASE INHIBITOR, COMPOSITION AND USE THEREOF | 浙江大学智能创新药物研究院 | 2023-02-02 | — | — | WO | disclosed |