Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.66 |
| ▸ | HTR1A | P08908 | 13/20 | 0.46 |
| ▸ | HTR1D | P28221 | 13/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.45 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.45 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8585904 | 0.98 | CXCR4 (0.62) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| SCHEMBL17887695 | 0.93 | CXCR4 (0.61) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| SCHEMBL8431121 | 0.93 | CXCR4 (0.59) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| Hydrochloric Acid SCHEMBL7478765 | 0.92 | CXCR4 (0.58) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| SCHEMBL6301909 | 0.82 | CXCR4 (0.75) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| SCHEMBL12343968 | 0.81 | CXCR4 (0.62) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| Hydrochloric Acid SCHEMBL7541441 | 0.81 | CXCR4 (0.72) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| SCHEMBL2493767 | 0.79 | CXCR4 (0.59) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| SCHEMBL4719274 | 0.79 | CXCR4 (0.59) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G | |
| SCHEMBL4717258 | 0.78 | CXCR4 (0.57) | CXCR4HTR1AHTR1DAPOBEC3AAPOBEC3G |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286673-B8 | LIGANDS OF INTEGRIN RECEPTORS | ABBOTT GMBH & CO KG (DE) | 2005-07-20 | — | — | EP | disclosed |
| EP-1286673-A2 | LIGANDS OF INTEGRIN RECEPTORS | Basf Aktiengesellschaft (DE) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001093840-A2 | LIGANDS OF INTEGRIN RECEPTORS | BASF AG (DE) | 2001-12-13 | — | — | WO | disclosed |