Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 13/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4071037 | 0.86 | CXCR4 (0.41) | CXCR4POLBGAAPKMSMN1; SMN2 | |
| SCHEMBL4069440 | 0.78 | CXCR4 (0.36) | CXCR4POLBPKMSMN1; SMN2GRIN1 | |
| SCHEMBL2510660 | 0.74 | CXCR4 (0.50) | CXCR4 | |
| Hydrochloric Acid SCHEMBL6885347 | 0.74 | CXCR4 (0.49) | CXCR4 | |
| SCHEMBL17969527 | 0.72 | CXCR4 (0.41) | CXCR4 | |
| SCHEMBL4759666 | 0.72 | CXCR4 (0.41) | CXCR4 | |
| SCHEMBL17969515 | 0.72 | CXCR4 (0.41) | CXCR4 | |
| SCHEMBL4063601 | 0.72 | CXCR4 (0.80) | CXCR4 | |
| Hydrochloric Acid SCHEMBL18628768 | 0.72 | CXCR4 (0.41) | CXCR4 | |
| Bromide SCHEMBL5140466 | 0.72 | CXCR4 (0.79) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | disclosed |