Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 5/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.42 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.40 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29875863 | 1.00 | CHRNB4 (0.43) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL25906381 | 0.92 | CHRNB2 (0.50) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL22554969 | 0.82 | SMYD2 (0.39) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL22554967 | 0.82 | SMYD2 (0.39) | CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7 | |
| SCHEMBL31460034 | 0.79 | SMYD2 (0.38) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL20534267 | 0.78 | FFAR1 (0.46) | — | |
| SCHEMBL18786265 | 0.78 | FFAR1 (0.46) | — | |
| SCHEMBL23665772 | 0.77 | CASP3 (0.36) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL31620808 | 0.76 | CASP3 (0.35) | CHRNB2CHRNA4CHRNA7CHRNA5 | |
| SCHEMBL22554979 | 0.76 | SMYD2 (0.40) | — |
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-115073450-A | KRAS G12C Preparation and application of mutant protein inhibitor | 药雅科技(上海)有限公司 | 2022-09-20 | — | — | CN | disclosed |