Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 10/20 | 1.00 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL5806528 | 0.90 | PTGS2 (1.00) | PTGS2PTGS1HRH4CA12CA1 | |
| SCHEMBL5821337 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1HRH4CA12CA1 | |
| SCHEMBL5553807 | 0.86 | PTGS2 (0.85) | PTGS2PTGS1HRH4TRPV1HDAC3 | |
| SCHEMBL5559109 | 0.84 | PTGS2 (0.89) | PTGS2PTGS1HRH4TRPV1HDAC3 | |
| SCHEMBL5555466 | 0.84 | PTGS2 (0.82) | PTGS2PTGS1HRH4TRPV1HDAC3 | |
| SCHEMBL8361039 | 0.82 | PTGS2 (0.80) | PTGS2PTGS1HRH4CA12CA1 | |
| SCHEMBL5560006 | 0.82 | PTGS2 (0.79) | PTGS2PTGS1HRH4TRPV1HDAC3 | |
| SCHEMBL5558684 | 0.82 | PTGS2 (0.78) | PTGS2PTGS1HRH4TRPV1 | |
| SCHEMBL12103292 | 0.81 | PTGS2 (0.69) | PTGS2PTGS1HRH4CA12CA1 | |
| SCHEMBL12106622 | 0.81 | PTGS2 (0.84) | PTGS2PTGS1HRH4CA12CA1 |
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 | claimed |