Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.51 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL14411926 | 1.00 | CXCR4 (0.51) | CXCR4ACEKCNH2 | |
| SCHEMBL3091917 | 0.95 | CXCR4 (0.57) | CXCR4ACEKCNH2 | |
| SCHEMBL3070002 | 0.94 | CXCR4 (0.54) | CXCR4ACEKCNH2 | |
| SCHEMBL3083647 | 0.91 | CXCR4 (0.47) | CXCR4ACEKCNH2 | |
| SCHEMBL3080750 | 0.88 | CXCR4 (0.48) | CXCR4ACEKCNH2 | |
| SCHEMBL3082057 | 0.87 | CXCR4 (0.50) | CXCR4ACEKCNH2 | |
| SCHEMBL3095545 | 0.85 | CXCR4 (0.51) | CXCR4ACEKCNH2 | |
| SCHEMBL3076659 | 0.85 | CXCR4 (0.51) | CXCR4ACEKCNH2 | |
| SCHEMBL3083272 | 0.83 | CXCR4 (0.57) | CXCR4KCNH2 | |
| SCHEMBL3081904 | 0.81 | CXCR4 (0.49) | CXCR4ACEKCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100227880-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION | 2010-09-09 | — | — | US | claimed |
| US-20100227880-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION | 2010-09-09 | — | — | US | disclosed |
| US-20100227880-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION | 2010-09-09 | — | — | US | disclosed |
| US-20100227880-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION | 2010-09-09 | — | — | US | disclosed |
| WO-2007087548-A9 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007087548-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-08-02 | — | — | WO | 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-20100227880-A1 | CHEMICAL COMPOUNDS | CYP3A5, SLC10A1, ABCB11 | CXCR4 1911/4885ACE 157/4885KCNH2 1079/4885 |
“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.