Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | GCK | P35557 | 1/20 | 0.36 |
| ▸ | GCKR | Q14397 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974228 | 0.93 | KIF11 (0.48) | KIF11CHRNA7PTGS2PTGS1CYP2C9 | |
| SCHEMBL8974646 | 0.90 | KIF11 (0.47) | KIF11CHRNA7PTGS2PTGS1CYP2C9 | |
| SCHEMBL8974206 | 0.90 | KIF11 (0.47) | KIF11CHRNA7PTGS2PTGS1CYP2C9 | |
| SCHEMBL8974330 | 0.89 | PTGS2 (0.45) | KIF11PTGS2PTGS1 | |
| SCHEMBL8974597 | 0.87 | KIF11 (0.52) | KIF11CHRNA7PTGS2PTGS1CYP2C9 | |
| SCHEMBL8974079 | 0.87 | KIF11 (0.64) | KIF11CHRNA7PTGS2PTGS1CYP2C9 | |
| SCHEMBL8974487 | 0.86 | KIF11 (0.50) | KIF11CHRNA7PTGS2PTGS1CYP2C9 | |
| SCHEMBL8974232 | 0.86 | KIF11 (0.50) | KIF11CHRNA7PTGS2PTGS1CYP2C9 | |
| SCHEMBL8974183 | 0.85 | CA2 (0.41) | CHRNA7PTGS2PTGS1CA2CA12 | |
| SCHEMBL8973758 | 0.84 | PTGS2 (0.41) | 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 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 |