Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | CXCL12 | P48061 | 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 | |
|---|---|---|---|---|
| SCHEMBL5499197 | 0.94 | CXCR4 (0.48) | CXCR4HRH3SIGMAR1SMN1; SMN2POLB | |
| SCHEMBL16162069 | 0.87 | CXCR4 (0.46) | CXCR4HRH3SIGMAR1SMN1; SMN2POLB | |
| SCHEMBL5616506 | 0.87 | CXCR4 (0.46) | CXCR4HRH3SIGMAR1SMN1; SMN2POLB | |
| SCHEMBL643893 | 0.86 | HRH3 (0.48) | CXCR4HRH3SIGMAR1SMN1; SMN2MAPT | |
| SCHEMBL7225776 | 0.86 | HRH3 (0.54) | HRH3SIGMAR1SMN1; SMN2POLBMAPT | |
| SCHEMBL6161463 | 0.82 | CXCR4 (0.39) | CXCR4SIGMAR1SMN1; SMN2POLBCHRM2 | |
| SCHEMBL24533550 | 0.80 | CXCR4 (0.75) | CXCR4HRH3SIGMAR1SMN1; SMN2POLB | |
| SCHEMBL1934187 | 0.80 | CXCR4 (0.78) | CXCR4HRH3SIGMAR1SMN1; SMN2POLB | |
| SCHEMBL5419101 | 0.78 | KEAP1 (0.47) | HRH3SIGMAR1SMN1; SMN2POLBCHRM2 | |
| SCHEMBL6644934 | 0.78 | CXCR4 (0.72) | CXCR4HRH3SIGMAR1SMN1; SMN2POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1178967-A1 | QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES | AstraZeneca AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000068201-A1 | QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES | ASTRAZENECA AB (SE) | 2000-11-16 | — | — | WO | disclosed |