Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 2/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | CTH | P32929 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2082260 | 0.79 | GABRA1 (0.39) | ALDH1A1TSHRTRIM24TRIM33 | |
| SCHEMBL29426573 | 0.77 | — | — | |
| SCHEMBL570133 | 0.77 | — | — | |
| SCHEMBL10964084 | 0.75 | PTGS2 (0.39) | ADRA2CALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL146510 | 0.74 | ESR1 (0.56) | GAAADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL7089658 | 0.73 | TSHR (0.43) | ALDH1A1TSHRSMN1; SMN2TRIM24TRIM33 | |
| SCHEMBL4035576 | 0.73 | ALDH1A1 (0.41) | GAAALDH1A1TSHRNOS3NOS1 | |
| SCHEMBL4030522 | 0.72 | TAAR1 (0.45) | TSHRSMN1; SMN2 | |
| SCHEMBL1179712 | 0.72 | TRIM24 (0.38) | ALDH1A1SMN1; SMN2TRIM24TRIM33 | |
| SCHEMBL23332480 | 0.71 | SLC6A2 (0.44) | GAAALDH1A1TRIM24TRIM33 |
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 |