Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.35 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2793777 | 0.85 | CYP3A4 (0.50) | CYP3A4HTR3AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL6708336 | 0.83 | CYP3A4 (0.49) | CYP3A4HTR3AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL13229581 | 0.83 | CYP3A4 (0.55) | CYP3A4HTR3AKDM4EALDH1A1TP53 | |
| SCHEMBL10472393 | 0.80 | GABRA1 (0.52) | CYP3A4HTR3AHTR2AHTR2CHTR2B | |
| SCHEMBL13229587 | 0.78 | CFTR (0.63) | CYP3A4HTR3AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL31549260 | 0.75 | F7 (0.43) | CYP3A4HTR3AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL13229624 | 0.74 | CFTR (0.48) | CYP3A4HTR3AHSD17B10KDM4EALDH1A1 | |
| SCHEMBL13229620 | 0.74 | CYP3A4 (0.47) | CYP3A4HTR3AALDH1A1TP53CFTR | |
| SCHEMBL15562633 | 0.74 | ALDH1A1 (0.49) | CYP3A4HTR3AHSD17B10ALDH1A1MEN1 | |
| SCHEMBL23937804 | 0.73 | CYP3A4 (0.43) | CYP3A4HTR3AKDM4EPBRM1ALDH1A1 |
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 4 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-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 |
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 | CYP3A4 3757/4885HTR3A 4289/4885HSD17B10 2762/4885 |
| US-20100168158-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CYP3A4 3621/4885HTR3A 3751/4885HSD17B10 1895/4885 |
| US-20130231364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | CFTR, ABCB1, ABCC1 | CYP3A4 3621/4885HTR3A 3751/4885HSD17B10 1895/4885 |
“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.