Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | USP1 | O94782 | 1/20 | 0.31 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083891 | 0.89 | CXCR4 (0.41) | CXCR4ADORA2AADORA1 | |
| SCHEMBL2085833 | 0.88 | CXCR4 (0.37) | CXCR4ADORA2AADORA1 | |
| Hydrochloric Acid SCHEMBL2084706 | 0.87 | CXCR4 (0.36) | CXCR4ADORA2AADORA1 | |
| SCHEMBL2084746 | 0.82 | PTGS2 (0.41) | CXCR4PTGS1PTGS2 | |
| SCHEMBL2082894 | 0.81 | CXCR4 (0.42) | CXCR4CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL2086322 | 0.80 | CXCR4 (0.38) | CXCR4 | |
| SCHEMBL2084532 | 0.80 | CXCR4 (0.36) | CXCR4 | |
| SCHEMBL2086373 | 0.79 | CXCR4 (0.39) | CXCR4CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL2084704 | 0.79 | CXCR4 (0.41) | CXCR4CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL2084913 | 0.78 | CXCR4 (0.38) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | claimed |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED CORPORATION (CA) | 2008-10-16 | — | — | US | claimed |
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | claimed |
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED CORPORATION (CA) | 2008-10-16 | — | — | US | disclosed |
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | 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-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | CXCR4, CXCR1, CXCR3 | CXCR4 1/4885CYP3A4 3377/4885CYP2D6 2881/4885 |
“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.