Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.85 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.85 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.85 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.85 |
| ▸ | CHRM5 | P08912 | 8/20 | 0.85 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.85 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.65 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20483199 | 0.92 | CXCR4 (1.00) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL20483202 | 0.92 | CXCR4 (1.00) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21744551 | 0.91 | CXCR4 (0.82) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21743938 | 0.91 | CXCR4 (0.82) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21744836 | 0.91 | CXCR4 (0.82) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21744151 | 0.90 | CXCR4 (0.81) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21744546 | 0.89 | CXCR4 (0.79) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL21743754 | 0.87 | CXCR4 (0.72) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL30239422 | 0.82 | CXCR4 (0.69) | CXCR4CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL20483201 | 0.79 | CXCR4 (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2023003862-A1 | CXCR4 MODULATORS AND USES RELATED THERETO | EMORY UNIVERSITY (US) | 2023-01-26 | — | — | WO | disclosed |