Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.36 |
| ▸ | LIMK2 | P53671 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1797458 | 0.87 | CXCR4 (0.50) | CXCR4LIMK1LIMK2TAAR1 | |
| SCHEMBL4589207 | 0.85 | CXCR4 (0.56) | CXCR4ALDH1A1HPGD | |
| SCHEMBL1798048 | 0.84 | CXCR4 (0.55) | CXCR4ALDH1A1TAAR1 | |
| SCHEMBL1792583 | 0.81 | CXCR4 (0.49) | CXCR4LMNAHPGDLIMK1LIMK2 | |
| SCHEMBL1794173 | 0.80 | CXCR4 (0.52) | CXCR4ALDH1A1RAB9ATAAR1 | |
| SCHEMBL1793785 | 0.80 | CXCR4 (0.54) | CXCR4TAAR1 | |
| SCHEMBL1792291 | 0.80 | CXCR4 (0.49) | CXCR4TAAR1GAAMAPT | |
| SCHEMBL1796722 | 0.79 | CXCR4 (0.49) | CXCR4TAAR1 | |
| SCHEMBL4604016 | 0.79 | CXCR4 (0.49) | CXCR4ALDH1A1NPC1RAB9ATAAR1 | |
| SCHEMBL1794959 | 0.79 | CXCR4 (0.48) | CXCR4TAAR1 |
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-8822459-B2 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-09-02 | — | — | US | disclosed |
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | disclosed |
| US-20110142856-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-06-16 | — | — | US | disclosed |
| US-7951816-B2 | Compound containing basic group and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-05-31 | — | — | US | disclosed |
| US-20080009495-A1 | Compound Containing Basic Group and Use Thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-01-10 | — | — | US | disclosed |
| EP-1790639-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-05-30 | — | — | 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-20110142856-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | CXCR4, CCR5, CXCL12 | CXCR4 1/4885ALDH1A1 305/4885HTT 3176/4885 |
| US-20080009495-A1 | Compound Containing Basic Group and Use Thereof | CXCR4, CCR5, CXCR3 | CXCR4 1/4885ALDH1A1 334/4885HTT 3383/4885 |
“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.