Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PTGFR | P43088 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4033313 | 0.88 | CXCR4 (0.49) | CXCR4PTGFRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4032120 | 0.73 | RAB9A (0.39) | SMN1; SMN2CYP2D6CYP2C9TSHRMEN1 | |
| SCHEMBL2085376 | 0.70 | ANO1 (0.38) | SMN1; SMN2L3MBTL1MEN1KMT2AOPRK1 | |
| SCHEMBL11175372 | 0.67 | TAAR1 (0.50) | PTGFRCHRM2CHRM1SLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL5574435 | 0.66 | CXCR4 (0.50) | CXCR4CHRM2CHRM5CHRM1TSHR | |
| SCHEMBL10938888 | 0.64 | KCNA5 (0.50) | CHRM2CHRM5CHRM1ADRA2BSLC6A2 | |
| SCHEMBL8191763 | 0.63 | TSHR (0.41) | SMN1; SMN2PTGFRCHRM2SLC6A2SLC6A4 | |
| SCHEMBL2081855 | 0.62 | CXCR4 (0.47) | CXCR4SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL13638230 | 0.62 | KCNA5 (0.52) | SMN1; SMN2CHRM2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL13862942 | 0.62 | KCNA5 (0.52) | SMN1; SMN2CHRM2SLC6A2SLC6A4SLC6A3 |
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 |