Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | DHODH | Q02127 | 5/20 | 0.57 |
| ▸ | GAA | P10253 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6730848 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL12786929 | 0.88 | DHODH (0.72) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL28194226 | 0.87 | SMN1; SMN2 (0.55) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL395324 | 0.84 | DHODH (0.77) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL12786889 | 0.83 | DHODH (0.53) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL19339180 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL8964150 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL15936570 | 0.81 | DHODH (0.68) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL1733506 | 0.81 | DHODH (0.68) | CYP1A2CYP2C19DHODHGAAMAPT | |
| SCHEMBL12285267 | 0.81 | DHODH (0.68) | CYP1A2CYP2C19DHODHGAAMAPT |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180127373-A1 | PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2018-05-10 | — | — | US | disclosed |
| US-9931334-B2 | Solid forms of N[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-04-03 | — | — | US | disclosed |
| US-20170231970-A1 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-17 | — | — | US | disclosed |
| US-9676722-B2 | Industrial process for making an Ivacaftor and its intermediates | OPTIMUS DRUGS PRIVATE LIMITED (IN) | 2017-06-13 | — | — | US | disclosed |
| US-9670163-B2 | Solid forms of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-06-06 | — | — | US | disclosed |
| US-20170096397-A1 | Industrial Process for Making an Ivacaftor and its Intermediates | OPTIMUS DRUGS PRIVATE LIMITED (IN) | 2017-04-06 | — | — | US | disclosed |
| US-20170066722-A1 | AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE | UCL BUSINESS PLC (GB) | 2017-03-09 | — | — | US | disclosed |
| US-9573902-B2 | Process for the preparation of Ivacaftor and its intermediates | LAURUS LABS PRIVATE LTD. (IN) | 2017-02-21 | — | — | US | disclosed |
| US-20160318931-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-11-03 | — | — | US | disclosed |
| US-20160229806-A1 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-08-11 | — | — | US | disclosed |
| US-20130165442-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-06-27 | — | — | US | disclosed |
| US-8410274-B2 | Solid forms of N-[2,4-bis(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS (US) | 2013-04-02 | — | — | US | disclosed |
| US-8372981-B2 | Nitrogen-containing aromatic derivatives | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2013-02-12 | — | — | US | disclosed |
| US-20130035327-A1 | Modulators of ATP-Binding Cassette Transporters | VERTEX PHARMACEUTICALS INCORPORATED | 2013-02-07 | — | — | US | disclosed |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-12-06 | — | — | US | disclosed |
| US-20120214841-A1 | SOLID FORMS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-08-23 | — | — | US | disclosed |
| US-20120122922-A1 | COMPOSITIONS OF N-[2,4-BIS(1,1-DIMETHYLETHYL)-5-HYDROXYPHENYL]-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXAMIDE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-05-17 | — | — | US | disclosed |
| US-20110118470-A1 | NITROGEN-CONTAINING AROMATIC DERIVATIVES | FUNAHASHI YASUHIRO | 2011-05-19 | — | — | US | disclosed |
| US-20110098311-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorported (US) | 2011-04-28 | — | — | US | disclosed |
| US-20110064811-A1 | Solid forms of N-[2,4-BIS(1,1-dimethylethyl)-5-hydroxyphenyl]-1,4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMACEUTICALS INCORPORATED | 2011-03-17 | — | — | US | 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 (14 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-20180127373-A1 | PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS | AVPR1A, ACVR1, AVPR2 | CYP1A2 393/4885CYP2C19 530/4885DHODH 1770/4885 |
| US-20130165442-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885CYP2C19 3102/4885DHODH 2093/4885 |
| US-20120122922-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 | CYP1A2 146/4885CYP2C19 675/4885DHODH 677/4885 |
| US-20160229806-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 | CYP1A2 12/4885CYP2C19 191/4885DHODH 504/4885 |
| US-20170066722-A1 | AGENTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR AND INFLAMMATORY DISEASES STRUCTURALLY BASED ON 4(1 H)-QUINOLONE | CBR3, AGTR1, CBR1 | CYP1A2 965/4885CYP2C19 2018/4885DHODH 3550/4885 |
| US-20110098311-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | CFTR, SLC26A4, ABCB11 | CYP1A2 1677/4885CYP2C19 957/4885DHODH 2714/4885 |
| US-20170096397-A1 | Industrial Process for Making an Ivacaftor and its Intermediates | COASY, SLC10A2, ACVR1 | CYP1A2 390/4885CYP2C19 406/4885DHODH 303/4885 |
| US-20110118470-A1 | NITROGEN-CONTAINING AROMATIC DERIVATIVES | GNG2, GCG, FRG1 | CYP1A2 79/4885CYP2C19 1660/4885DHODH 4032/4885 |
| US-20120309758-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885CYP2C19 3102/4885DHODH 2093/4885 |
| US-20130035327-A1 | Modulators of ATP-Binding Cassette Transporters | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885CYP2C19 3102/4885DHODH 2093/4885 |
| US-20160318931-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | CFTR, ABCB1, ABCC2 | CYP1A2 2537/4885CYP2C19 3102/4885DHODH 2093/4885 |
| US-20110064811-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 | CYP1A2 12/4885CYP2C19 191/4885DHODH 504/4885 |
| US-20120214841-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 | CYP1A2 12/4885CYP2C19 191/4885DHODH 504/4885 |
| US-20170231970-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 | CYP1A2 12/4885CYP2C19 191/4885DHODH 504/4885 |
“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.