Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | VRK2 | Q86Y07 | 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 | |
|---|---|---|---|---|
| SCHEMBL8974555 | 0.88 | KIF11 (0.41) | KIF11PTGS2PTGS1CA12CA2 | |
| SCHEMBL8974393 | 0.88 | KIF11 (0.46) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL8974291 | 0.86 | KCNH2 (0.53) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL8973824 | 0.86 | PTGS2 (0.46) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL9115734 | 0.85 | PTGS2 (0.47) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL8974133 | 0.84 | KIF11 (0.43) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL9117164 | 0.83 | PTGS2 (0.42) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL8974214 | 0.83 | KCNH2 (0.44) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL9116807 | 0.83 | PTGS2 (0.42) | KIF11PTGS2PTGS1KCNH2MAP4K4 | |
| SCHEMBL8974140 | 0.83 | KCNH2 (0.44) | KIF11PTGS2PTGS1KCNH2MAP4K4 |
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 3 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 |
| US-5418254-A | Side effect reduction | G. D. SEARLE & CO. (US) | 1995-05-23 | — | — | US | disclosed |