Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.60 |
| ▸ | CHRM4 | P08173 | 7/20 | 0.60 |
| ▸ | CHRM5 | P08912 | 7/20 | 0.60 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.60 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL24976773 | 0.83 | CXCR4 (0.51) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21744695 | 0.77 | CXCR4 (0.72) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21744571 | 0.77 | CXCR4 (0.72) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21744694 | 0.77 | CXCR4 (0.72) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL24975534 | 0.77 | DRD2 (0.46) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21744592 | 0.76 | CXCR4 (0.61) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21744236 | 0.76 | CXCR4 (1.00) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21744235 | 0.76 | CXCR4 (1.00) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21744749 | 0.76 | CXCR4 (1.00) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL21743754 | 0.76 | CXCR4 (0.72) | CXCR4CHRM2CHRM4CHRM5CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023003862-A1 | CXCR4 MODULATORS AND USES RELATED THERETO | EMORY UNIVERSITY (US) | 2023-01-26 | — | — | WO | disclosed |