Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 17/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27529304 | 0.94 | CXCR4 (0.44) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27529286 | 0.94 | CXCR4 (0.40) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 | |
| SCHEMBL27578506 | 0.89 | CXCR4 (0.42) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 | |
| SCHEMBL27596375 | 0.89 | CXCR4 (0.43) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 | |
| SCHEMBL27510218 | 0.88 | CXCR4 (0.41) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27578502 | 0.88 | CXCR4 (0.41) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 | |
| SCHEMBL5051542 | 0.86 | CXCR4 (0.43) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 | |
| SCHEMBL27529298 | 0.86 | CXCR4 (0.41) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 | |
| SCHEMBL27596372 | 0.86 | CXCR4 (0.43) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 | |
| SCHEMBL28749567 | 0.85 | CXCR4 (0.43) | CXCR4CYP3A4CYP2D6HDAC1HDAC6 |
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 |