Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | TNKS | O95271 | 3/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.40 |
| ▸ | SULT2A1 | Q06520 | 1/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9117491 | 0.98 | PTGS2 (0.46) | PTGS2PTGS1TNKSTNKS2SULT2A1 | |
| SCHEMBL9117672 | 0.95 | PTGS2 (0.51) | PTGS2PTGS1TNKSTNKS2SULT2A1 | |
| SCHEMBL9117705 | 0.93 | PTGS2 (0.49) | PTGS2PTGS1GPR119LRRK2ATR | |
| SCHEMBL9116918 | 0.89 | CA2 (0.47) | PTGS2PTGS1MLNRCA12CA1 | |
| SCHEMBL9116993 | 0.89 | PTGS2 (0.54) | PTGS2PTGS1GPR119LRRK2ATR | |
| SCHEMBL9117586 | 0.87 | CA2 (0.47) | PTGS2PTGS1MLNRCA12CA1 | |
| SCHEMBL9117225 | 0.86 | PTGS2 (0.50) | PTGS2PTGS1GPR119ALOX5AP | |
| SCHEMBL9118717 | 0.85 | PTGS2 (0.49) | PTGS2PTGS1ALOX5AP | |
| SCHEMBL9117382 | 0.85 | PTGS2 (0.66) | PTGS2PTGS1 | |
| SCHEMBL9118010 | 0.85 | PTGS2 (0.48) | PTGS2PTGS1ALOX5AP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995030652-A1 | SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-11-16 | — | — | WO | disclosed |