Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 4/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2695949 | 0.95 | CXCR4 (0.50) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A | |
| SCHEMBL2697456 | 0.94 | CXCR4 (0.49) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A | |
| SCHEMBL2694823 | 0.94 | CXCR4 (0.49) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A | |
| SCHEMBL2696556 | 0.90 | CXCR4 (0.48) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A | |
| SCHEMBL2694020 | 0.87 | CXCR4 (0.47) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A | |
| SCHEMBL2695977 | 0.87 | CXCR4 (0.60) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A | |
| SCHEMBL2696197 | 0.85 | CXCR4 (0.46) | CXCR4CYP2D6CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2696206 | 0.85 | CHRM2 (0.45) | CXCR4HTR2BCHRM2CHRM3 | |
| SCHEMBL2697519 | 0.85 | CXCR4 (0.51) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A | |
| SCHEMBL4774084 | 0.83 | CXCR4 (0.45) | CXCR4CYP2D6CYP3A4CYP2C9HIF1A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8519124-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-08-27 | — | — | US | claimed |
| US-8519124-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2013-08-27 | — | — | US | disclosed |
| EP-1961744-B1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | ONO PHARMACEUTICAL CO (JP) | 2013-04-17 | — | — | EP | disclosed |
| US-20120207765-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-08-16 | — | — | US | disclosed |
| US-8168783-B2 | Chemokine receptor antagonists and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-05-01 | — | — | US | disclosed |
| US-20090169567-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD., (JP) | 2009-07-02 | — | — | US | disclosed |
| EP-1961744-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-08-27 | — | — | 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 (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-20090169567-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885CYP2D6 2687/4885CYP3A4 3747/4885 |
| US-20120207765-A1 | CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF | CXCR4, CXCR3, CXCR1 | CXCR4 1/4885CYP2D6 2851/4885CYP3A4 4052/4885 |
“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.