Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.34 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.34 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL15834899 | 0.98 | CXCR4 (0.50) | CXCR4HRH3RAD52POLBSMN1; SMN2 | |
| SCHEMBL28078047 | 0.87 | CXCR4 (0.60) | CXCR4HRH3RAD52POLBSMN1; SMN2 | |
| SCHEMBL6913246 | 0.87 | CXCR4 (0.60) | CXCR4HRH3RAD52POLBSMN1; SMN2 | |
| SCHEMBL1914465 | 0.87 | CXCR4 (0.60) | CXCR4HRH3RAD52POLBSMN1; SMN2 | |
| SCHEMBL946201 | 0.85 | CXCR4 (0.62) | CXCR4HRH3RAD52POLBSMN1; SMN2 | |
| SCHEMBL13661067 | 0.83 | CXCR4 (0.68) | CXCR4HRH3RAD52POLBSMN1; SMN2 | |
| SCHEMBL21480703 | 0.82 | CXCR4 (0.48) | CXCR4HRH3POLBSMN1; SMN2MEN1 | |
| SCHEMBL12992865 | 0.79 | CXCR4 (0.62) | CXCR4HRH3RAD52POLBSMN1; SMN2 | |
| SCHEMBL29788395 | 0.79 | SMN1; SMN2 (0.45) | CXCR4HRH3POLBSMN1; SMN2ALDH1A1 | |
| SCHEMBL6644934 | 0.78 | CXCR4 (0.72) | CXCR4HRH3RAD52POLBSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6294541-B1 | ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES | EURO-CELTIQUE S.A. (LU) | 2001-09-25 | — | — | US | disclosed |