Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.53 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.53 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 16/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974501 | 0.88 | PTGS2 (0.47) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974336 | 0.88 | KCNH2 (0.54) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974697 | 0.88 | KCNH2 (0.54) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974138 | 0.86 | KIF11 (0.45) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL9119972 | 0.85 | PTGS2 (0.64) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974342 | 0.84 | KCNH2 (0.54) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974482 | 0.84 | KCNH2 (0.54) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL9117240 | 0.83 | PTGS2 (0.58) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974167 | 0.83 | KCNH2 (0.56) | KCNH2MAP4K4PIK3CAMINK1PI4KB | |
| SCHEMBL8974655 | 0.83 | PTGS2 (0.56) | PTGS2PTGS1KIF11 |
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 4 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 | claimed |
| US-5576339-A | Pyridyl substituted cyclopentadienes for the treatment of inflamation | HUANG HORNG-CHIH (US) | 1996-11-19 | — | — | US | disclosed |
| 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 |