Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 4/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.58 |
| ▸ | CHRNB1 | P11230 | 3/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.58 |
| ▸ | CHRNB3 | Q05901 | 3/20 | 0.58 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL27003329 | 0.85 | CHRNB2 (0.56) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL29924791 | 0.83 | CHRNB4 (0.58) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL30391441 | 0.81 | CHRNB2 (0.59) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL30570936 | 0.80 | CHRNB4 (0.65) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL8436708 | 0.80 | CHRNB4 (0.65) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL31010661 | 0.78 | NOS3 (0.50) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL30335680 | 0.74 | CHRNB2 (0.47) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL7372710 | 0.74 | CHRNB2 (1.00) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL12214039 | 0.74 | CHRNB2 (1.00) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 | |
| SCHEMBL29484629 | 0.74 | CHRNB2 (1.00) | CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4 |
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-2022135470-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 | 2022-06-30 | — | — | WO | disclosed |