Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | MLNR | O43193 | 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 | |
|---|---|---|---|---|
| SCHEMBL8974147 | 0.92 | PTGS2 (0.45) | CA2CA1CA9CA5ACA5B | |
| SCHEMBL8974602 | 0.88 | CA2 (0.44) | CA2CA1CA9CA5ACA5B | |
| SCHEMBL8974632 | 0.86 | KIF11 (0.50) | CA2CA1CA9CA4PTGS2 | |
| SCHEMBL8974405 | 0.86 | CA1 (0.41) | CA2CA1CA9CA5ACA5B | |
| SCHEMBL8974328 | 0.85 | CA2 (0.41) | CA2CA1CA9CA5ACA5B | |
| SCHEMBL8974748 | 0.85 | CA2 (0.41) | CA2CA1CA9CA5ACA5B | |
| SCHEMBL8974373 | 0.85 | PTGS2 (0.57) | CA2CA1CA9CA4PTGS2 | |
| SCHEMBL8974747 | 0.84 | PTGS2 (0.42) | CA2CA1CA9CA5ACA5B | |
| SCHEMBL8974658 | 0.84 | CA2 (0.41) | CA2CA1CA9CA5ACA5B | |
| SCHEMBL8974416 | 0.83 | CA2 (0.41) | CA2CA1CA9CA5ACA5B |
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 |