Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 13/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | HTR6 | P50406 | 3/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13875216 | 1.00 | CXCR4 (0.60) | CXCR4CYP2D6HTR6DRD4KCNH2 | |
| SCHEMBL5548249 | 1.00 | CXCR4 (0.60) | CXCR4CYP2D6HTR6DRD4KCNH2 | |
| SCHEMBL4166431 | 1.00 | CXCR4 (0.60) | CXCR4CYP2D6HTR6DRD4KCNH2 | |
| Trifluoroacetic Acid SCHEMBL4178099 | 0.93 | CXCR4 (0.53) | CXCR4CYP2D6HTR6DRD4 | |
| Trifluoroacetic Acid SCHEMBL4172539 | 0.93 | CXCR4 (0.53) | CXCR4CYP2D6HTR6DRD4 | |
| SCHEMBL13875217 | 0.86 | CXCR4 (0.60) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL21516060 | 0.82 | CXCR4 (0.59) | CXCR4CYP2D6HTR6DRD4 | |
| SCHEMBL21516025 | 0.82 | HTR6 (0.50) | CXCR4CYP2D6HTR6DRD4 | |
| SCHEMBL4173009 | 0.81 | CXCR4 (0.48) | CXCR4CYP2D6DRD4KCNH2 | |
| SCHEMBL4182113 | 0.81 | CXCR4 (0.48) | CXCR4CYP2D6DRD4KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090093454-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2009-04-09 | — | — | US | claimed |
| US-20090093454-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2009-04-09 | — | — | 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-20090093454-A1 | Chemical Compounds | SLC10A1, CYP11B2, CYP4F3 | CXCR4 2681/4885CYP2D6 13/4885HTR6 553/4885 |
“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.