Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22943275 | 0.83 | ALDH1A1 (0.35) | ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL22943016 | 0.77 | DYRK1A (0.33) | — | |
| SCHEMBL19122030 | 0.77 | NUDT1 (0.45) | ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16823798 | 0.76 | HTT (0.43) | ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL22943013 | 0.72 | ALDH1A1 (0.32) | ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL22943033 | 0.72 | GPR119 (0.33) | ALDH1A1 | |
| SCHEMBL19121008 | 0.70 | ALDH1A1 (0.35) | ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21323658 | 0.68 | LRRK2 (0.41) | ALDH1A1JMJD6 | |
| SCHEMBL16825301 | 0.66 | ALDH1A1 (0.36) | ALDH1A1JMJD6CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21288456 | 0.66 | CFTR (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210032272-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | VERTEX PHARMACEUTICALS INCORPORATED | 2021-02-04 | — | — | 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 (1 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-20210032272-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR | CFTR, SCNN1G, CLCN2 | ALDH1A1 4004/4885JMJD6 4334/4885CYP1A2 4175/4885 |
“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.