Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 12/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13229634 | 0.83 | CYP3A4 (0.48) | CFTRCYP3A4HTR3AALDH1A1KDM4E | |
| SCHEMBL13229624 | 0.82 | CFTR (0.48) | CFTRCYP3A4HTR3AMAOBMEN1 | |
| SCHEMBL6479523 | 0.81 | POLB (0.56) | CYP3A4HTR3AKMT2ANPC1RAB9A | |
| SCHEMBL13229581 | 0.80 | CYP3A4 (0.55) | CFTRCYP3A4HTR3AKMT2ATDP1 | |
| SCHEMBL2793777 | 0.79 | CYP3A4 (0.50) | CYP3A4HTR3AMEN1KMT2AALDH1A1 | |
| SCHEMBL14780622 | 0.79 | CFTR (0.65) | CFTRCYP3A4HTR3AMAOBNPC1 | |
| SCHEMBL13229585 | 0.78 | CFTR (0.63) | CFTRMAOBMEN1KMT2ATDP1 | |
| SCHEMBL13229697 | 0.78 | CYP3A4 (0.49) | CFTRCYP3A4HTR3AMEN1KMT2A | |
| SCHEMBL398391 | 0.77 | CFTR (1.00) | CFTRMAOBMEN1KMT2ANPC1 | |
| SCHEMBL13229620 | 0.77 | CYP3A4 (0.47) | CFTRCYP3A4HTR3AMAOBNPC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2170901-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2015-07-01 | — | — | EP | 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-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 1/4885CYP3A4 3757/4885HTR3A 4289/4885 |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CFTR 1/4885CYP3A4 3621/4885HTR3A 3751/4885 |
| US-20130231364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CFTR 1/4885CYP3A4 3621/4885HTR3A 3751/4885 |
“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.