Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.74 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1793933 | 1.00 | CXCR4 (0.74) | CXCR4OPRD1KDM1AMAOBRCOR1 | |
| SCHEMBL2694761 | 0.97 | CXCR4 (0.70) | CXCR4OPRD1KDM1AMAOBRCOR1 | |
| SCHEMBL2693103 | 0.97 | CXCR4 (0.70) | CXCR4OPRD1KDM1AMAOBRCOR1 | |
| SCHEMBL2695337 | 0.97 | CXCR4 (0.70) | CXCR4OPRD1KDM1AMAOBRCOR1 | |
| SCHEMBL2693827 | 0.97 | CXCR4 (0.69) | CXCR4OPRD1KDM1AMAOBRCOR1 | |
| SCHEMBL2692809 | 0.97 | CXCR4 (0.69) | CXCR4OPRD1KDM1AMAOBRCOR1 | |
| SCHEMBL2693682 | 0.96 | CXCR4 (0.67) | CXCR4OPRD1CYP3A4TSHRCYP2D6 | |
| SCHEMBL2697466 | 0.90 | CXCR4 (0.60) | CXCR4OPRD1KDM1AMAOBRCOR1 | |
| SCHEMBL2695454 | 0.90 | CXCR4 (0.61) | CXCR4OPRD1CYP3A4TSHRCYP2D6 | |
| SCHEMBL2695651 | 0.90 | CXCR4 (0.61) | CXCR4OPRD1CYP3A4TSHRCYP2D6 |
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 1/4885OPRD1 920/4885KDM1A 4517/4885 |
| US-20080009495-A1 | Compound Containing Basic Group and Use Thereof | CXCR4, CCR5, CXCR3 | CXCR4 1/4885OPRD1 976/4885KDM1A 4525/4885 |
“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.