Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CTSA | P10619 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2084128 | 0.79 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1GAAHSD17B10CXCR4 | |
| SCHEMBL243610 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL10765635 | 0.75 | L3MBTL1 (0.57) | ALDH1A1L3MBTL1HSD17B10NOS3NOS1 | |
| SCHEMBL146510 | 0.74 | ESR1 (0.56) | ALDH1A1GAAADRA2AADRA2BADRA2C | |
| SCHEMBL28410854 | 0.74 | L3MBTL1 (0.52) | ALDH1A1L3MBTL1GAAHSD17B10NOS3 | |
| SCHEMBL4033857 | 0.73 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1NR3C2CYP2D6 | |
| SCHEMBL8973031 | 0.72 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1GAAHSD17B10GABRA1 | |
| SCHEMBL4032491 | 0.71 | ADRB2 (0.37) | ALDH1A1ADRB2GAACTSAADRA2A | |
| SCHEMBL28752820 | 0.70 | SLC6A2 (0.42) | ALDH1A1L3MBTL1ADRB2GAAADRA2A | |
| Hydrochloric Acid SCHEMBL2308021 | 0.70 | L3MBTL1 (0.52) | ALDH1A1L3MBTL1GAAHSD17B10GABRA1 |
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-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |