Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 15/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 14/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8974570 | 0.90 | PTGS2 (0.57) | KIF11PTGS2PTGS1CA1CA2 | |
| SCHEMBL8974584 | 0.88 | KIF11 (0.55) | KIF11PTGS2PTGS1CA1CA2 | |
| SCHEMBL8974589 | 0.87 | KIF11 (0.51) | KIF11PTGS2PTGS1 | |
| SCHEMBL8974713 | 0.85 | KIF11 (0.72) | KIF11PTGS2PTGS1CA2CA9 | |
| SCHEMBL8973775 | 0.84 | KIF11 (0.51) | KIF11PTGS2PTGS1CA1CA2 | |
| SCHEMBL8974360 | 0.83 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA7 | |
| SCHEMBL8974152 | 0.83 | KIF11 (0.56) | KIF11PTGS2PTGS1CA2CA9 | |
| SCHEMBL8974763 | 0.82 | PTGS2 (0.63) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8974532 | 0.82 | KIF11 (0.48) | KIF11PTGS2PTGS1CA1CA2 | |
| SCHEMBL8973816 | 0.80 | PTGS2 (0.52) | KIF11PTGS2PTGS1CA2CA9 |
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 |