Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 17/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28630773 | 1.00 | SLC10A1 (0.44) | SLC10A1KCNK3ALDH1A1 | |
| SCHEMBL28638198 | 0.89 | SLC10A1 (0.46) | SLC10A1KCNK3 | |
| SCHEMBL28638202 | 0.89 | SLC10A1 (0.46) | SLC10A1KCNK3 | |
| SCHEMBL22307724 | 0.87 | PDE3B (0.50) | SLC10A1KCNK3ALDH1A1 | |
| SCHEMBL22307699 | 0.87 | PDE3B (0.50) | SLC10A1KCNK3ALDH1A1 | |
| SCHEMBL28636397 | 0.87 | PDE3B (0.50) | SLC10A1KCNK3ALDH1A1 | |
| SCHEMBL22308116 | 0.86 | SLC10A1 (0.48) | SLC10A1KCNK3 | |
| SCHEMBL22308115 | 0.86 | SLC10A1 (0.48) | SLC10A1KCNK3 | |
| SCHEMBL28631357 | 0.86 | SLC10A1 (0.48) | SLC10A1KCNK3 | |
| SCHEMBL21809985 | 0.81 | ALDH1A1 (0.43) | KCNK3ALDH1A1 |
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-113365999-A | Capsid protein assembly inhibitors containing pyrroloheterocycles | 正大天晴药业集团股份有限公司 | 2021-09-07 | — | — | CN | disclosed |