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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR known ✓ | P13569 | 5/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.56 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.56 |
| ▸ | MC4R | P32245 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
| ▸ | PABPC1 | P11940 | 3/20 | 0.39 |
| ▸ | EIF4H | Q15056 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.38 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25874770 | 0.93 | CFTR (0.49) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL15244981 | 0.90 | CFTR (0.45) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL18617160 | 0.89 | CFTR (0.54) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL16718705 | 0.85 | CFTR (0.57) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL1684332 | 0.80 | CFTR (0.47) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2215191 | 0.79 | CFTR (0.46) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL14999164 | 0.77 | KDR (0.49) | PABPC1EIF4HKDRTNFNOD1 | |
| SCHEMBL6669901 | 0.76 | KDM4E (0.47) | MEN1KMT2ANUDT1LMNAKDM4E | |
| SCHEMBL14440319 | 0.74 | L3MBTL1 (0.43) | MEN1KMT2AKDRRAB9A | |
| SCHEMBL18617158 | 0.73 | MAPT (0.41) | 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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2464337-B2 | Tablet formulation of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide for use in the treatment of cystic fibrosis | VERTEX PHARMA (US) | 2024-06-26 | — | — | EP | disclosed |
| US-11752106-B2 | Pharmaceutical composition and administrations thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-09-12 | — | — | US | disclosed |
| US-11752106-B2 | Pharmaceutical composition and administrations thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-09-12 | — | — | US | disclosed |
| US-20230263794-A1 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-24 | — | — | US | disclosed |
| US-20230210839-A1 | PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-07-06 | — | — | US | disclosed |
| US-20230210839-A1 | PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-07-06 | — | — | US | disclosed |
| US-11564916-B2 | Pharmaceutical composition and administrations thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-01-31 | — | — | US | disclosed |
| US-11291662-B2 | Solid forms of n-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-05 | — | — | US | disclosed |
| US-11147770-B2 | Pharmaceutical composition and administrations thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-19 | — | — | US | disclosed |
| US-20210251978-A9 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-08-19 | — | — | US | disclosed |
| US-20100074949-A1 | Pharmaceutical composition and administration thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2010-03-25 | — | — | US | disclosed |
| US-20100069434-A1 | Compositions of n-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED | 2010-03-18 | — | — | US | disclosed |
| US-20100069434-A1 | Compositions of n-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED | 2010-03-18 | — | — | US | disclosed |
| WO-2010019239-A2 | PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-02-18 | — | — | WO | disclosed |
| US-7553855-B2 | Compositions of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| US-7553855-B2 | Compositions of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| US-20080090864-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-17 | — | — | US | disclosed |
| US-20080090864-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-04-17 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100069434-A1 | Compositions of n-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OPRM1, GRIN2C | CFTR 2134/4885ADORA3 1605/4885ADRB3 994/4885 |
| US-20100074949-A1 | Pharmaceutical composition and administration thereof | CYP3A5, CYP3A4, CYP4B1 | CFTR 279/4885ADORA3 614/4885ADRB3 621/4885 |
| US-11752106-B2 | Pharmaceutical composition and administrations thereof | CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 | CFTR 1/4885ADORA3 1656/4885ADRB3 1048/4885 |
| US-20230263794-A1 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, CYP3A4 | CFTR 1049/4885ADORA3 774/4885ADRB3 1286/4885 |
| US-11147770-B2 | Pharmaceutical composition and administrations thereof | CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KCNQ5 | CFTR 1/4885ADORA3 1656/4885ADRB3 1048/4885 |
| US-20230210839-A1 | PHARMACEUTICAL COMPOSITION AND ADMINISTRATIONS THEREOF | CYP3A5, CYP4B1, CYP3A4 | CFTR 299/4885ADORA3 461/4885ADRB3 593/4885 |
| US-20210251978-A9 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, CYP3A4 | CFTR 1037/4885ADORA3 753/4885ADRB3 1267/4885 |
| US-11291662-B2 | Solid forms of n-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP4B1, CYP3A4 | CFTR 1049/4885ADORA3 774/4885ADRB3 1286/4885 |
| US-20080090864-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, OPRM1, GRIN2C | CFTR 2134/4885ADORA3 1605/4885ADRB3 994/4885 |
| US-11564916-B2 | Pharmaceutical composition and administrations thereof | CYP3A5, CYP4B1, CYP3A4 | CFTR 299/4885ADORA3 461/4885ADRB3 593/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.