Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 5/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | PTGES | O14684 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL8974309 | 0.89 | KIF11 (0.43) | KCNH2PTGS1PTGS2KIF11MAP4K4 | |
| SCHEMBL8974523 | 0.88 | KIF11 (0.42) | KCNH2PTGS1PTGS2KIF11MAP4K4 | |
| SCHEMBL8973845 | 0.86 | PTGS2 (0.42) | PTGS1PTGS2CA1CA2CA9 | |
| SCHEMBL8974254 | 0.86 | PTGS2 (0.46) | KCNH2PTGS1PTGS2KIF11MAP4K4 | |
| SCHEMBL8974445 | 0.84 | KIF11 (0.62) | PTGS1PTGS2KIF11PDPK1CA1 | |
| SCHEMBL8974270 | 0.84 | KIF11 (0.46) | KCNH2PTGS1PTGS2KIF11MAP4K4 | |
| SCHEMBL8974160 | 0.83 | KIF11 (0.45) | KCNH2PTGS1PTGS2KIF11MAP4K4 | |
| SCHEMBL8974206 | 0.82 | KIF11 (0.47) | PTGS1PTGS2KIF11PDPK1CA1 | |
| SCHEMBL8974163 | 0.81 | KIF11 (0.40) | PTGS1PTGS2KIF11CA1CA2 | |
| SCHEMBL8974933 | 0.80 | KIF11 (0.47) | PTGS1PTGS2KIF11PDPK1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |