Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | CXCR3 | P49682 | 17/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12659747 | 0.86 | HRH3 (0.54) | KCNH2HRH3CXCR3PIK3CDPIK3CB | |
| SCHEMBL5578380 | 0.79 | PDE10A (0.53) | KCNH2HRH3 | |
| SCHEMBL12672676 | 0.79 | PIK3CD (0.50) | KCNH2HRH3CXCR3PIK3CDPIK3CB | |
| SCHEMBL1895438 | 0.77 | CXCR3 (0.53) | KCNH2HRH3CXCR3 | |
| SCHEMBL5578700 | 0.77 | CXCR3 (0.53) | KCNH2HRH3CXCR3 | |
| SCHEMBL12659732 | 0.76 | PIK3CD (0.48) | KCNH2HRH3CXCR3PIK3CDPIK3CB | |
| SCHEMBL1895441 | 0.76 | PIK3CD (0.48) | KCNH2HRH3CXCR3PIK3CDPIK3CB | |
| SCHEMBL1895439 | 0.76 | PIK3CD (0.48) | KCNH2HRH3CXCR3PIK3CDPIK3CB | |
| SCHEMBL1553513 | 0.75 | KCNH2 (0.56) | KCNH2HRH3CXCR3 | |
| SCHEMBL12659738 | 0.74 | HRH3 (0.46) | KCNH2HRH3CXCR3PIK3CDPIK3CB |
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-1771447-A1 | FUSED PYRIMIDINE DERIVATIVES AND COMPOSITIONS THEREOF AS CXCR3 RECEPTOR MODULATORS, USEFUL IN PREVENTION AND TREATMENT OF INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES | Amgen SF LLC (US) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006004915-A1 | FUSED PYRIMIDINE DERIVATIVES AND COMPOSITIONS THEREOF AS CXCR3 RECEPTOR MODULATORS, USEFUL IN PREVENTION AND TREATMENT OF INFLAMMATORY AND IMMUNOREGULATORY DISORDERS AND DISEASES | AMGEN SF, LLC (US) | 2006-01-12 | — | — | WO | disclosed |