Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3314059 | 0.85 | CXCR4 (0.56) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL4250911 | 0.84 | CXCR4 (0.47) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL7846052 | 0.84 | CXCR4 (0.56) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| Trifluoroacetic Acid SCHEMBL4541649 | 0.81 | CXCR4 (0.49) | CXCR4CYP2D6CYP3A4KCNH2 | |
| SCHEMBL4065719 | 0.79 | CXCR4 (0.77) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3312846 | 0.79 | HDAC6 (0.48) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3312985 | 0.78 | CXCR4 (0.48) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3314317 | 0.77 | HDAC6 (0.46) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3313097 | 0.75 | HDAC6 (0.42) | CXCR4 | |
| SCHEMBL3314915 | 0.75 | HDAC6 (0.42) | CXCR4 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | disclosed |
| US-7396840-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |
| US-7084155-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED (CA) | 2006-08-01 | — | — | US | disclosed |
| US-20060128750-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2006-06-15 | — | — | US | disclosed |
| US-6864265-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED, INC. (CA) | 2005-03-08 | — | — | US | disclosed |
| US-20040220207-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2004-11-04 | — | — | US | disclosed |
| EP-1317445-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2003-06-11 | — | — | EP | disclosed |
| US-20030018046-A1 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION | 2003-01-23 | — | — | US | disclosed |
| WO-2002022600-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2002-03-21 | — | — | 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 (3 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-20040220207-A1 | Chemokine receptor binding heterocyclic compounds | CXCR3, ACKR3, CCR2 | CXCR4 7/4885CYP2D6 3122/4885CYP3A4 3162/4885 |
| US-20060128750-A1 | Chemokine receptor binding heterocyclic compounds | CXCR4, CCR5, CXCR3 | CXCR4 1/4885CYP2D6 3062/4885CYP3A4 2593/4885 |
| US-20030018046-A1 | Chemokine receptor binding heterocyclic compounds | CXCR3, ACKR3, CCR2 | CXCR4 7/4885CYP2D6 3122/4885CYP3A4 3162/4885 |
“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.