Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 11/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2085127 | 0.88 | CXCR4 (0.52) | CXCR4HSP90AA1HSP90AB1CYP1A2CHRM2 | |
| Hydrochloric Acid SCHEMBL2083504 | 0.87 | CXCR4 (0.51) | CXCR4HSP90AA1HSP90AB1CYP1A2CHRM2 | |
| SCHEMBL2083954 | 0.86 | CXCR4 (0.40) | CXCR4HSP90AA1HSP90AB1CYP1A2CHRM2 | |
| Hydrochloric Acid SCHEMBL4566243 | 0.82 | HRH1 (0.41) | CXCR4CYP1A2ALDH1A1LMNACYP2C19 | |
| SCHEMBL2084903 | 0.81 | CXCR4 (0.48) | CXCR4CHRM2ADRB2MAOASLC6A2 | |
| SCHEMBL5576610 | 0.81 | CXCR4 (0.51) | CXCR4HSP90AA1HSP90AB1CYP1A2CHRM2 | |
| SCHEMBL2084301 | 0.80 | CXCR4 (0.55) | CXCR4HSP90AA1HSP90AB1CYP1A2CHRM2 | |
| SCHEMBL2084975 | 0.77 | CXCR4 (0.53) | CXCR4HSP90AA1HSP90AB1ADORA3TLR7 | |
| SCHEMBL2083756 | 0.77 | CXCR4 (0.53) | CXCR4CHRM2TLR7GPR142CHRM4 | |
| SCHEMBL2084876 | 0.76 | CXCR4 (0.42) | CXCR4HSP90AA1HSP90AB1CYP1A2CHRM2 |
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 12 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 |
| EP-2086935-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS | Grünenthal GmbH (DE) | 2009-08-12 | — | — | EP | disclosed |
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED CORPORATION (CA) | 2008-10-16 | — | — | US | disclosed |
| WO-2008046573-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS | Grünenthal GmbH (DE) | 2008-04-24 | — | — | WO | disclosed |
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |
| US-20040209921-A1 | CXCR4 chemokine receptor binding comounds | ANORMED CORPORATION (CA) | 2004-10-21 | — | — | 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 (2 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-20040209921-A1 | CXCR4 chemokine receptor binding comounds | CXCR4, CXCR1, CXCR3 | CXCR4 1/4885HSP90AA1 2609/4885HSP90AB1 2644/4885 |
| US-20080255197-A1 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | CXCR4, CXCR1, CXCR3 | CXCR4 1/4885HSP90AA1 2463/4885HSP90AB1 2518/4885 |
“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.