Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.57 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 13/20 | 0.42 |
| ▸ | HTR1D | P28221 | 13/20 | 0.42 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 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 | |
|---|---|---|---|---|
| SCHEMBL4719794 | 0.90 | CXCR4 (0.71) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL4719274 | 0.79 | CXCR4 (0.59) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL8585904 | 0.79 | CXCR4 (0.62) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL12343968 | 0.79 | CXCR4 (0.62) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL6440029 | 0.78 | CXCR4 (0.66) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL6497096 | 0.77 | CXCR4 (0.56) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL8431121 | 0.77 | CXCR4 (0.59) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL2493767 | 0.77 | CXCR4 (0.59) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL7478765 | 0.76 | CXCR4 (0.58) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D | |
| SCHEMBL13510158 | 0.75 | CXCR4 (0.62) | CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D |
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 |