Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | NAMPT | P43490 | 7/20 | 0.44 |
| ▸ | CHUK | O15111 | 1/20 | 0.44 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.44 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TET3 | O43151 | 1/20 | 0.43 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.43 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.43 |
| ▸ | GPR4 | P46093 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1794968 | 0.91 | CXCR4 (0.55) | CXCR4HPGDNPC1RAB9ATHRA | |
| SCHEMBL4590045 | 0.89 | CXCR4 (0.64) | CXCR4THRBNAMPTALDH1A1 | |
| SCHEMBL4589207 | 0.88 | CXCR4 (0.56) | CXCR4HPGDNAMPTL3MBTL1ALDH1A1 | |
| SCHEMBL4590029 | 0.88 | CXCR4 (0.75) | CXCR4NPC1RAB9ATHRATHRB | |
| SCHEMBL1205267 | 0.86 | CXCR4 (0.50) | CXCR4HPGDNPC1RAB9ATHRA | |
| SCHEMBL1795606 | 0.82 | CXCR4 (0.49) | CXCR4NAMPTL3MBTL1ALDH1A1 | |
| SCHEMBL1793506 | 0.81 | CXCR4 (0.48) | CXCR4NAMPTL3MBTL1ALDH1A1 | |
| SCHEMBL1794515 | 0.81 | CXCR4 (0.49) | CXCR4NPC1RAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL1792958 | 0.80 | CXCR4 (0.69) | CXCR4NAMPT | |
| SCHEMBL1793373 | 0.80 | CXCR4 (0.47) | CXCR4NAMPTALDH1A1 |
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 4 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-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 (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-20080009495-A1 | Compound Containing Basic Group and Use Thereof | CXCR4, CCR5, CXCR3 | CXCR4 1/4885HPGD 685/4885NPC1 332/4885 |
“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.