Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 20/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.70 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.70 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.70 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.70 |
| ▸ | MC4R | P32245 | 1/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL2035792 | 0.87 | CFTR (0.77) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2977974 | 0.84 | CFTR (0.69) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL397317 | 0.83 | CFTR (0.73) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL29379239 | 0.83 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL29357389 | 0.83 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL351373 | 0.83 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL16341592 | 0.82 | CFTR (0.69) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL2100895 | 0.82 | CFTR (0.98) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL31157966 | 0.82 | CFTR (0.98) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL18393755 | 0.82 | CFTR (0.98) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016199085-A1 | NANOPARTICULATE IVACAFTOR FORMULATIONS | AIZANT DRUG RESEARCH SOLUTIONS PRIVATE LIMITED (IN) | 2016-12-15 | — | — | WO | disclosed |
| EP-2021797-B1 | COMPOSITIONS OF N-Ý2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL¨-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMA (US) | 2011-11-23 | — | — | EP | disclosed |
| EP-1993360-A2 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | Vertex Pharmaceuticals Incorporated (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007079139-A9 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMA (US) | 2007-11-29 | — | — | WO | disclosed |
| WO-2007079139-A2 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS, INC. (US) | 2007-07-12 | — | — | WO | disclosed |