Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.67 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.50 |
| ▸ | ACHE | P22303 | 7/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 3/20 | 0.44 |
| ▸ | OGA | O60502 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 5/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CCND3 | P30281 | 1/20 | 0.43 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1088816 | 0.94 | CXCR4 (0.74) | CXCR4HRH4ACHELTA4HIDH1 | |
| SCHEMBL1092091 | 0.91 | CXCR4 (0.66) | CXCR4HRH4ACHELTA4HIDH1 | |
| SCHEMBL1089256 | 0.90 | CXCR4 (0.67) | CXCR4HRH4LTA4HIDH1OGA | |
| SCHEMBL1089552 | 0.87 | CXCR4 (0.71) | CXCR4HRH4ACHEIDH1OGA | |
| SCHEMBL1089666 | 0.84 | CXCR4 (0.88) | CXCR4HRH4ACHEIDH1BACE1 | |
| SCHEMBL1088657 | 0.83 | CXCR4 (0.74) | CXCR4ACHEBACE1HRH3 | |
| SCHEMBL1090142 | 0.82 | CXCR4 (0.67) | CXCR4HRH4ACHEBACE1 | |
| SCHEMBL1089373 | 0.81 | CXCR4 (0.78) | CXCR4HRH4ACHEIDH1OGA | |
| SCHEMBL1090100 | 0.81 | CXCR4 (0.68) | CXCR4ACHEBACE1 | |
| SCHEMBL1089642 | 0.81 | CXCR4 (1.00) | CXCR4HRH4ACHEOGABACE1 |
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-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-06-21 | — | — | US | disclosed |
| US-8153625-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-20100221259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-09-02 | — | — | US | disclosed |
| US-7759336-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-07-20 | — | — | US | disclosed |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-07-19 | — | — | US | disclosed |
| EP-1571146-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-09-07 | — | — | 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-20100221259-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885HRH4 130/4885ACHE 4384/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885HRH4 130/4885ACHE 4384/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885HRH4 130/4885ACHE 4384/4885 |
“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.