Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 16/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4879472 | 1.00 | CXCR4 (0.48) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL4879565 | 0.87 | CYP2D6 (0.50) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL4889561 | 0.87 | CXCR4 (0.46) | CXCR4CYP2D6 | |
| SCHEMBL4892084 | 0.83 | CYP2D6 (0.55) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL4886497 | 0.83 | CYP2D6 (0.55) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL4905347 | 0.80 | L3MBTL1 (0.39) | CXCR4 | |
| SCHEMBL20482879 | 0.77 | CXCR4 (0.52) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL20482877 | 0.77 | CXCR4 (0.52) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL30069420 | 0.77 | CXCR4 (0.52) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL30069414 | 0.77 | CXCR4 (0.52) | CXCR4CYP2D6KCNH2 |
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-20080096861-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-24 | — | — | 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-20080096861-A1 | Chemical Compounds | CCR5, CXCR4, CXCR3 | CXCR4 2/4885CYP2D6 4070/4885KCNH2 4733/4885 |
“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.