Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Ivacaftor. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR known ✓ | P13569 | 20/20 | 0.92 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.92 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.92 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.92 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.92 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.92 |
| ▸ | MC4R | P32245 | 1/20 | 0.92 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.92 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.92 |
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 | |
|---|---|---|---|---|
| Ivacaftor SCHEMBL351373 | 0.96 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL29379239 | 0.96 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL29357389 | 0.96 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL2101934 | 0.95 | CFTR (0.86) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL18393755 | 0.95 | CFTR (0.98) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL31157966 | 0.95 | CFTR (0.98) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL2100895 | 0.95 | CFTR (0.98) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL2102906 | 0.94 | CFTR (0.85) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL2104011 | 0.94 | CFTR (0.88) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| Ivacaftor SCHEMBL19107543 | 0.92 | CFTR (0.92) | 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 |
|---|---|---|---|---|---|---|---|
| US-8163772-B2 | Solid forms of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxypheny1]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-24 | — | — | US | claimed |