Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4936096 | 1.00 | CXCR4 (0.71) | CXCR4CYP2D6CHRNA1ADRA2AACHE | |
| SCHEMBL4939928 | 1.00 | CXCR4 (0.71) | CXCR4CYP2D6CHRNA1ADRA2AACHE | |
| SCHEMBL4938863 | 1.00 | CXCR4 (0.71) | CXCR4CYP2D6CHRNA1ADRA2AACHE | |
| SCHEMBL4941000 | 1.00 | CXCR4 (0.71) | CXCR4CYP2D6CHRNA1ADRA2AACHE | |
| SCHEMBL4939999 | 0.96 | CXCR4 (0.69) | CXCR4CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL4939958 | 0.95 | CXCR4 (0.69) | CXCR4KCNH2 | |
| SCHEMBL4134634 | 0.93 | CXCR4 (0.72) | CXCR4KCNH2 | |
| SCHEMBL4939561 | 0.91 | CXCR4 (0.71) | CXCR4CYP2D6KCNH2 | |
| SCHEMBL4938561 | 0.89 | CXCR4 (0.57) | CXCR4CYP2D6CHRNA1ADRA2AACHE | |
| SCHEMBL4938384 | 0.88 | CXCR4 (0.60) | CXCR4CYP2D6CHRNA1ADRA2AACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1778231-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20080096861-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-24 | — | — | US | disclosed |
| US-20080096861-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-24 | — | — | US | disclosed |
| US-20080096861-A1 | Chemical Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-24 | — | — | US | disclosed |
| EP-1778231-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006020415-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-23 | — | — | 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-20080096861-A1 | Chemical Compounds | CCR5, CXCR4, CXCR3 | CXCR4 2/4885CYP2D6 4070/4885CHRNA1 2646/4885 |
“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.