Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 16/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 15/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.46 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.44 |
| ▸ | CHRNG | P07510 | 1/20 | 0.44 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.44 |
| ▸ | CHRND | Q07001 | 1/20 | 0.44 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29043100 | 1.00 | CHRNB2 (0.46) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL29108020 | 0.98 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL30665749 | 0.98 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL30665748 | 0.95 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL29108032 | 0.95 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL1538483 | 0.84 | CHRNB2 (0.62) | CHRNB2CHRNA4CHRNA1CHRNA7 | |
| SCHEMBL23044774 | 0.83 | CHRNA3 (0.46) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL12396830 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL3186217 | 0.83 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 | |
| SCHEMBL30665759 | 0.83 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNA3CHRNB4CHRNA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116102483-B | Substituted pyrrole-2, 5-diketone compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2025-01-17 | — | — | CN | disclosed |
| CN-117069650-A | Alkynyl compound, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2023-11-17 | — | — | CN | disclosed |
| CN-116102483-A | Substituted pyrrole-2, 5-diketone compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2023-05-12 | — | — | CN | disclosed |