Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.70 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL1793193 | 0.82 | CXCR4 (1.00) | CXCR4DRD2DRD4DRD3 | |
| SCHEMBL1792747 | 0.82 | CXCR4 (0.98) | CXCR4DRD2DRD4DRD3 | |
| SCHEMBL4198764 | 0.82 | CXCR4 (0.71) | CXCR4DRD2DRD4DRD3S1PR1 | |
| SCHEMBL12507647 | 0.79 | CXCR4 (0.68) | CXCR4DRD2DRD4DRD3NAMPT | |
| SCHEMBL1797198 | 0.79 | CXCR4 (0.94) | CXCR4 | |
| SCHEMBL4209786 | 0.79 | CXCR4 (0.67) | CXCR4DRD2DRD4DRD3NAMPT | |
| SCHEMBL1204806 | 0.78 | CXCR4 (0.72) | CXCR4HRH4HRH3SMN1; SMN2 | |
| Ethyl Acetate SCHEMBL2204091 | 0.78 | CXCR4 (0.66) | CXCR4DRD2DRD4DRD3S1PR1 | |
| SCHEMBL2694469 | 0.77 | CXCR4 (0.76) | CXCR4S1PR1S1PR3S1PR2NAMPT | |
| SCHEMBL4196900 | 0.77 | CXCR4 (0.64) | CXCR4S1PR1S1PR3S1PR2HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8871210-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-10-28 | — | — | US | disclosed |
| US-20140072576-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-03-13 | — | — | US | disclosed |
| US-8614323-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-12-24 | — | — | US | disclosed |
| EP-2657235-A1 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-10-30 | — | — | EP | disclosed |
| US-20120328627-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-12-27 | — | — | US | disclosed |
| US-8318931-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-11-27 | — | — | US | disclosed |
| US-8293896-B2 | — | — | 2012-10-23 | — | — | US | disclosed |
| US-20090118279-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD., (JP) | 2009-05-07 | — | — | US | disclosed |
| EP-1942108-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-07-09 | — | — | EP | 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-20140072576-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | CXCR4, CXCR1, CXCR3 | CXCR4 1/4885DRD2 2051/4885DRD4 3058/4885 |
| US-20090118279-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | CXCR4, CXCR1, CXCR3 | CXCR4 1/4885DRD2 2148/4885DRD4 2771/4885 |
| US-20120328627-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | CXCR4, CXCR1, CXCR3 | CXCR4 1/4885DRD2 2051/4885DRD4 3058/4885 |
“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.