Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.61 |
| ▸ | CHRM2 | P08172 | 10/20 | 0.61 |
| ▸ | CHRM4 | P08173 | 10/20 | 0.61 |
| ▸ | CHRM5 | P08912 | 10/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 10/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 10/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21744694 | 0.93 | CXCR4 (0.72) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21744571 | 0.93 | CXCR4 (0.72) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21743754 | 0.80 | CXCR4 (0.72) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21744148 | 0.77 | CXCR4 (0.81) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21744695 | 0.77 | CXCR4 (0.72) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL24975339 | 0.76 | CXCR4 (0.60) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL20483532 | 0.76 | CXCR4 (1.00) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL20483533 | 0.76 | CXCR4 (1.00) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21743946 | 0.75 | CXCR4 (0.81) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21743750 | 0.75 | CXCR4 (0.81) | CXCR4CYP2D6CHRM2CHRM4CHRM5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200054623-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | EMORY UNIVERSITY | 2020-02-20 | — | — | US | 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-20200054623-A1 | Chemokine CXCR4 Receptor Modulators and Uses Related Thereto | CXCR4, CXCL12, CXCR1 | CXCR4 1/4885CYP2D6 4404/4885CHRM2 2559/4885 |
“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.