Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.52 |
| ▸ | ACE | P12821 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14270229 | 1.00 | CXCR4 (0.52) | CXCR4ACEKCNH2CYP3A4 | |
| SCHEMBL14270232 | 0.95 | CXCR4 (0.51) | CXCR4ACECYP3A4 | |
| SCHEMBL4881703 | 0.95 | CXCR4 (0.51) | CXCR4ACECYP3A4 | |
| SCHEMBL14270226 | 0.94 | CXCR4 (0.60) | CXCR4KCNH2CYP3A4 | |
| SCHEMBL4882093 | 0.94 | CXCR4 (0.60) | CXCR4KCNH2CYP3A4 | |
| SCHEMBL4891406 | 0.93 | CXCR4 (0.53) | CXCR4KCNH2CYP3A4 | |
| SCHEMBL4880465 | 0.93 | CXCR4 (0.53) | CXCR4KCNH2CYP3A4 | |
| SCHEMBL4889252 | 0.92 | CXCR4 (0.59) | CXCR4KCNH2 | |
| SCHEMBL4893597 | 0.92 | CXCR4 (0.59) | CXCR4KCNH2 | |
| SCHEMBL4889736 | 0.90 | CXCR4 (0.60) | CXCR4KCNH2CYP3A4 |
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-20080045537-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-02-21 | — | — | US | claimed |
| EP-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | claimed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | WO | claimed |
| US-20080045537-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION | 2008-02-21 | — | — | US | disclosed |
| EP-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | 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-20080045537-A1 | Chemical Compounds | CCR5, CXCR4, CXCR3 | CXCR4 2/4885ACE 3946/4885KCNH2 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.