Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.51 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.51 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.43 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973691 | 0.91 | CA1 (0.43) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974452 | 0.87 | PTGS2 (0.44) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8975759 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL8974421 | 0.83 | PTGS2 (0.43) | KCNH2PTGS2PTGS1 | |
| SCHEMBL8974697 | 0.82 | KCNH2 (0.54) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974336 | 0.82 | KCNH2 (0.54) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8973759 | 0.81 | POLB (0.41) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974291 | 0.81 | KCNH2 (0.53) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974117 | 0.81 | PTGS2 (0.40) | PTGS2PTGS1 | |
| SCHEMBL8974198 | 0.81 | PTGS2 (0.61) | PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995030656-A1 | SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |
| US-5418254-A | Side effect reduction | G. D. SEARLE & CO. (US) | 1995-05-23 | — | — | US | disclosed |