Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | KIF11 | P52732 | 2/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.46 |
| ▸ | CA9 | Q16790 | 8/20 | 0.46 |
| ▸ | CA12 | O43570 | 7/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL8973733 | 0.87 | KIF11 (0.68) | CA2CA1KIF11PTGS2CA9 | |
| SCHEMBL8974171 | 0.85 | PTGS2 (0.48) | KIF11PTGS2ALOX5PTGS1 | |
| SCHEMBL8974255 | 0.85 | PTGS1 (0.53) | CA2CA1KIF11PTGS2CA9 | |
| SCHEMBL8974169 | 0.84 | CA2 (0.55) | CA2CA1KIF11PTGS2CA9 | |
| SCHEMBL8974520 | 0.83 | CA2 (0.54) | CA2CA1KIF11PTGS2CA9 | |
| SCHEMBL8974138 | 0.82 | KIF11 (0.45) | CA2KIF11PTGS2CA9CA12 | |
| SCHEMBL8974555 | 0.81 | KIF11 (0.41) | CA2CA1KIF11PTGS2CA9 | |
| SCHEMBL8974811 | 0.80 | CA2 (0.54) | CA2CA1KIF11PTGS2CA9 | |
| SCHEMBL8974901 | 0.79 | CA2 (0.50) | CA2CA1KIF11PTGS2CA9 | |
| SCHEMBL8975948 | 0.78 | CA2 (0.41) | CA2CA1KIF11PTGS2CA9 |
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 |