Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 17/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27509878 | 0.95 | CXCR4 (0.41) | CXCR4MMP13 | |
| SCHEMBL4062631 | 0.88 | CXCR4 (0.40) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27529438 | 0.87 | CXCR4 (0.42) | CXCR4MMP13CYP3A4CYP2D6 | |
| SCHEMBL27529337 | 0.85 | CXCR4 (0.47) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL4059558 | 0.82 | CXCR4 (0.41) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27529308 | 0.81 | CXCR4 (0.43) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27511686 | 0.80 | CXCR4 (0.51) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27569043 | 0.80 | CXCR4 (0.46) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27509158 | 0.79 | CXCR4 (0.48) | CXCR4CYP3A4CYP2D6 | |
| SCHEMBL27509523 | 0.78 | CXCR4 (0.40) | CXCR4MMP13CYP3A4CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1237061-C | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2006-01-18 | — | — | CN | disclosed |
| CN-1458929-A | Chemokine receptor binding heterocyclic compounds | ANORMED INC (CA) | 2003-11-26 | — | — | CN | disclosed |