Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 5/20 | 0.36 |
| ▸ | PDE8B | O95263 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17262847 | 0.87 | PDE8B (0.36) | PDE8B | |
| SCHEMBL6320948 | 0.86 | PTGES (0.35) | PTGES | |
| SCHEMBL1443895 | 0.69 | ALDH1A1 (0.40) | PTGESPDE8B | |
| SCHEMBL14723131 | 0.67 | AURKA (0.36) | PTGES | |
| SCHEMBL14250446 | 0.67 | MAPK8 (0.34) | — | |
| SCHEMBL6356983 | 0.66 | CHUK (0.36) | — | |
| SCHEMBL3158626 | 0.66 | CHUK (0.36) | — | |
| SCHEMBL17352600 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL3115347 | 0.64 | PTGES (0.37) | PTGES | |
| SCHEMBL2954548 | 0.64 | KDM4E (0.40) | — |
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-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |