Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.35 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | CCNK | O75909 | 1/20 | 0.33 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4111309 | 0.89 | CXCR4 (0.41) | CXCR4HRH4NOS2AOC3MRGPRX1 | |
| SCHEMBL4116141 | 0.89 | CXCR4 (0.40) | CXCR4HRH4SYKCCNKCDK12 | |
| SCHEMBL4116420 | 0.86 | CXCR4 (0.43) | CXCR4HRH4MRGPRX1ALKGPBAR1 | |
| SCHEMBL4115339 | 0.85 | CXCR4 (0.45) | CXCR4HRH4MRGPRX1ALKSYK | |
| SCHEMBL4111561 | 0.84 | CXCR4 (0.39) | CXCR4HRH4MRGPRX1ALKSYK | |
| SCHEMBL4115415 | 0.84 | CXCR4 (0.39) | CXCR4HRH4MRGPRX1ALKSYK | |
| SCHEMBL4122210 | 0.84 | CXCR4 (0.40) | CXCR4HRH4MRGPRX1ALKSYK | |
| SCHEMBL4116340 | 0.83 | CXCR4 (0.39) | CXCR4HRH4MRGPRX1ALKCCNK | |
| SCHEMBL4105454 | 0.83 | CXCR4 (0.39) | CXCR4HRH4MRGPRX1ALKCCNK | |
| SCHEMBL13696552 | 0.83 | CXCR4 (0.44) | CXCR4HRH4SYK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8680092-B2 | Nitrogenous heterocyclic compound and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-03-25 | — | — | US | disclosed |
| US-20090233908-A1 | NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2009-09-17 | — | — | US | disclosed |
| EP-1852432-A1 | NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-11-07 | — | — | 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 (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-20090233908-A1 | NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF | CXCR4, CXCR1, CXCL12 | CXCR4 1/4885HRH4 152/4885NOS2 149/4885 |
“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.