Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 20/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.64 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.64 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.64 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.64 |
| ▸ | MC4R | P32245 | 1/20 | 0.64 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.64 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL11998126 | 0.87 | CFTR (0.73) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2035792 | 0.87 | CFTR (0.77) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL398517 | 0.83 | CFTR (0.70) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL18708392 | 0.81 | CFTR (0.67) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL1732268 | 0.81 | CFTR (0.70) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL397981 | 0.80 | CFTR (0.69) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL29050127 | 0.79 | CFTR (0.64) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL30492065 | 0.79 | CFTR (0.64) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL397317 | 0.79 | CFTR (0.73) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL351373 | 0.79 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 |
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-114380746-A | Novel crystalline form of ivacaiton and preparation method thereof | 台湾神隆股份有限公司 | 2022-04-22 | — | — | CN | disclosed |