Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 16/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4932605 | 1.00 | CXCR4 (0.75) | CXCR4CYP2D6CYP3A4CHRM3KCNH2 | |
| SCHEMBL4940287 | 1.00 | CXCR4 (0.75) | CXCR4CYP2D6CYP3A4CHRM3KCNH2 | |
| SCHEMBL4939991 | 0.91 | CXCR4 (0.70) | CXCR4KCNH2 | |
| SCHEMBL4939982 | 0.91 | CXCR4 (0.70) | CXCR4KCNH2 | |
| SCHEMBL4935546 | 0.88 | CXCR4 (0.65) | CXCR4KCNH2 | |
| SCHEMBL4935536 | 0.88 | CXCR4 (0.65) | CXCR4KCNH2 | |
| SCHEMBL4936270 | 0.87 | CXCR4 (0.90) | CXCR4KCNH2 | |
| SCHEMBL3999768 | 0.86 | CXCR4 (0.63) | CXCR4CYP2D6CYP3A4KCNH2 | |
| SCHEMBL3993765 | 0.86 | CXCR4 (0.63) | CXCR4CYP2D6CYP3A4KCNH2 | |
| SCHEMBL4932260 | 0.86 | CXCR4 (1.00) | 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 4070/4885CYP3A4 3349/4885 |
“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.