Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.58 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 6/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.46 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.46 |
| ▸ | OGA | O60502 | 1/20 | 0.45 |
| ▸ | IGF1R | P08069 | 2/20 | 0.45 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.44 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP1 | P63208 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | STK17B | O94768 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.44 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1089291 | 0.83 | CXCR4 (0.64) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| SCHEMBL1088913 | 0.82 | CXCR4 (0.54) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| SCHEMBL1090759 | 0.80 | CXCR4 (0.60) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| SCHEMBL1091026 | 0.79 | CXCR4 (0.58) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| Hydrochloric Acid SCHEMBL1090184 | 0.77 | CXCR4 (0.66) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| SCHEMBL1090274 | 0.76 | CXCR4 (0.55) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| SCHEMBL2074799 | 0.74 | HRH4 (0.46) | CXCR4ALKHRH4IGF1RSHMT2 | |
| SCHEMBL1090046 | 0.74 | CXCR4 (1.00) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| SCHEMBL1089904 | 0.74 | CXCR4 (1.00) | CXCR4HRH4MRGPRX1OGAHRH3 | |
| SCHEMBL1090583 | 0.74 | CXCR4 (0.74) | CXCR4HRH4MRGPRX1OGAHRH3 |
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 1/4885GPBAR1 922/4885ALK 882/4885 |
| US-20070167459-A1 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885GPBAR1 922/4885ALK 882/4885 |
| US-20120156219-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF | CXCR4, CXCL12, CXCR3 | CXCR4 1/4885GPBAR1 922/4885ALK 882/4885 |
“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.