Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.68 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.54 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 8/20 | 0.41 |
| ▸ | HTR1D | P28221 | 8/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.37 |
| ▸ | PTGIR | P43119 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL4719796 | 0.86 | CXCR4 (0.73) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL5677296 | 0.79 | CXCR4 (0.79) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| Bromide SCHEMBL8624628 | 0.77 | CXCR4 (0.76) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL4719274 | 0.77 | CXCR4 (0.59) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL6301909 | 0.77 | CXCR4 (0.75) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL2492454 | 0.77 | CXCR4 (0.75) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL3792582 | 0.75 | CXCR4 (0.79) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL18993752 | 0.75 | CXCR4 (0.79) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| Hydrochloric Acid SCHEMBL7541441 | 0.75 | CXCR4 (0.72) | CXCR4APOBEC3AAPOBEC3GWDR5HTR1A | |
| SCHEMBL13024377 | 0.75 | CXCR4 (0.61) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2015048819-A1 | ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-04-02 | — | — | WO | disclosed |