Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 11/20 | 0.70 |
| ▸ | PTGS2 | P35354 | 11/20 | 0.70 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5820566 | 0.82 | PTGS2 (1.00) | PTGS1PTGS2AKR1C3AKR1C2CA12 | |
| SCHEMBL5806528 | 0.79 | PTGS2 (1.00) | PTGS1PTGS2CA12CA1CA2 | |
| SCHEMBL5809970 | 0.78 | PTGS1 (0.76) | PTGS1PTGS2AKR1C3AKR1C2CNR2 | |
| SCHEMBL4021172 | 0.76 | PTGS2 (0.79) | PTGS1PTGS2AKR1C3CNR2 | |
| SCHEMBL5805662 | 0.74 | PTGS2 (0.38) | PTGS1PTGS2CA12CA1CA2 | |
| SCHEMBL5816400 | 0.74 | PTGS2 (0.82) | PTGS1PTGS2AKR1C3AKR1C2CA12 | |
| SCHEMBL12106622 | 0.73 | PTGS2 (0.84) | PTGS1PTGS2AKR1C3AKR1C2CA12 | |
| SCHEMBL24205757 | 0.73 | PTGS1 (0.76) | PTGS1PTGS2AKR1C3AKR1C2CNR2 | |
| SCHEMBL19749149 | 0.73 | PTGS1 (0.79) | PTGS1PTGS2AKR1C3AKR1C2CNR2 | |
| SCHEMBL8899694 | 0.73 | PTGS1 (0.79) | PTGS1PTGS2AKR1C3AKR1C2CNR2 |
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-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | disclosed |