Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.71 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.53 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.53 |
| ▸ | WDR5 | P61964 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 6/20 | 0.38 |
| ▸ | HTR1D | P28221 | 6/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.36 |
| ▸ | PTGIR | P43119 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGAV | P06756 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | ITGB5 | P18084 | 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 | |
|---|---|---|---|---|
| SCHEMBL4717258 | 0.90 | CXCR4 (0.57) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL4719796 | 0.78 | CXCR4 (0.73) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL5677296 | 0.78 | CXCR4 (0.79) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL18993752 | 0.77 | CXCR4 (0.79) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL3792582 | 0.77 | CXCR4 (0.79) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL11133792 | 0.76 | CXCR4 (0.82) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL5831369 | 0.76 | CXCR4 (0.82) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| Bromide SCHEMBL8624628 | 0.76 | CXCR4 (0.76) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL6306605 | 0.75 | CXCR4 (0.69) | CXCR4APOBEC3AAPOBEC3GWDR5ADRA2A | |
| SCHEMBL6301909 | 0.75 | CXCR4 (0.75) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A |
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-1216230-B1 | FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS | AMGEN INC (US) | 2008-04-23 | — | — | EP | disclosed |