Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 19/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27510213 | 0.94 | CXCR4 (0.41) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4071093 | 0.92 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL27596372 | 0.89 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL28749565 | 0.88 | CXCR4 (0.44) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL27511342 | 0.87 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL4062765 | 0.86 | CXCR4 (0.42) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL27596375 | 0.86 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL27578501 | 0.85 | CXCR4 (0.43) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL27529284 | 0.85 | CXCR4 (0.41) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL27578505 | 0.85 | CXCR4 (0.46) | CXCR4CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1458929-A | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2003-11-26 | — | — | CN | disclosed |