Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 15/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.48 |
| ▸ | MC4R | P32245 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | DHPS | P49366 | 2/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13229687 | 0.91 | CFTR (0.56) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL14780624 | 0.85 | CFTR (0.69) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL13229672 | 0.83 | CFTR (0.63) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2977990 | 0.81 | CFTR (0.78) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL395226 | 0.81 | CFTR (1.00) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2967676 | 0.80 | CFTR (0.74) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2970459 | 0.79 | CFTR (0.75) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2978717 | 0.79 | CFTR (0.75) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2979454 | 0.79 | CFTR (0.78) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL2966550 | 0.78 | CFTR (0.77) | 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140235668-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-21 | — | — | US | disclosed |
| US-20140235668-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-08-21 | — | — | US | disclosed |
| US-20130231364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-05 | — | — | US | disclosed |
| US-20130231364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-09-05 | — | — | US | disclosed |
| US-8399479-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-19 | — | — | US | disclosed |
| US-8399479-B2 | Modulators of cystic fibrosis transmembrane conductance regulator | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-19 | — | — | US | disclosed |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-01 | — | — | US | disclosed |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-01 | — | — | 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 (3 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-20140235668-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VPI | CFTR, ABCB1, ABCC1 | CFTR 1/4885ADORA3 1467/4885ADRB3 799/4885 |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CFTR 1/4885ADORA3 566/4885ADRB3 339/4885 |
| US-20130231364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CFTR 1/4885ADORA3 566/4885ADRB3 339/4885 |
“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.