Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3314059 | 0.94 | CXCR4 (0.56) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| Trifluoroacetic Acid SCHEMBL4541649 | 0.88 | CXCR4 (0.49) | CXCR4CYP2D6CYP3A4KCNH2 | |
| SCHEMBL4074278 | 0.84 | CXCR4 (0.52) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL4250911 | 0.83 | CXCR4 (0.47) | CXCR4CYP2D6CYP3A4CHRM2DRD2 | |
| SCHEMBL3312985 | 0.82 | CXCR4 (0.48) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3312846 | 0.81 | HDAC6 (0.48) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3314317 | 0.79 | HDAC6 (0.46) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL30338222 | 0.78 | CXCR4 (0.70) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL28610931 | 0.78 | CXCR4 (0.70) | CXCR4CYP2D6CYP3A4 | |
| SCHEMBL3313097 | 0.76 | HDAC6 (0.42) | CXCR4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1163238-A1 | CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056729-A1 | CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC. (CA) | 2000-09-28 | — | — | WO | disclosed |