Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.36 |
| ▸ | SCD | O00767 | 3/20 | 0.36 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | WNT3A | P56704 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL4178042 | 0.79 | PTGS2 (0.45) | PTGS2SCDFADS1PTGS1 | |
| SCHEMBL4178043 | 0.78 | PTGS2 (0.38) | PTGS2SCDFADS1PTGS1 | |
| SCHEMBL6234886 | 0.74 | PTGS2 (0.38) | PTGS2SCDFADS1PTGS1WNT3A | |
| SCHEMBL4173252 | 0.70 | PTGS2 (0.37) | PTGS2PTGS1 | |
| SCHEMBL4173249 | 0.67 | PTGS2 (0.42) | PTGS2PTGS1 | |
| SCHEMBL4176803 | 0.65 | PTGS2 (0.40) | PTGS2SCDFADS1PTGS1 | |
| SCHEMBL4178035 | 0.64 | PDE5A (0.48) | PTGS2PTGS1 | |
| SCHEMBL6234875 | 0.62 | EED (0.38) | PTGS2SCDFADS1PTGS1WNT3A | |
| SCHEMBL4174132 | 0.62 | KDR (0.45) | PTGS2SCDFADS1PTGS1WNT3A | |
| SCHEMBL6234890 | 0.62 | PTGS2 (0.38) | PTGS2SCDFADS1WNT3ATNKS2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005004818-A2 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-20 | — | — | WO | disclosed |