Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.45 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 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 | |
|---|---|---|---|---|
| SCHEMBL8974097 | 0.93 | PTGS2 (0.46) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8974510 | 0.89 | PTGS2 (0.43) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8974711 | 0.88 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL8974702 | 0.88 | PTGS2 (0.43) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8974676 | 0.87 | KIF11 (0.47) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8974105 | 0.86 | CA2 (0.45) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8973851 | 0.86 | PTGS2 (0.59) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8974814 | 0.84 | CA2 (0.43) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8974103 | 0.83 | PTGS2 (0.49) | PTGS2PTGS1 | |
| SCHEMBL9117796 | 0.83 | PTGS2 (0.58) | PTGS2PTGS1CA1CA2CA4 |
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 |