Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628851 | 0.85 | PTGS2 (0.36) | PTGS2DRD2TBXA2RHTTKMT2A | |
| SCHEMBL13628859 | 0.81 | PTGS2 (0.45) | PTGS2TBXA2R | |
| SCHEMBL13628850 | 0.79 | PTGS2 (0.36) | PTGS2TBXA2RHTTKMT2AMAPT | |
| SCHEMBL13628824 | 0.79 | RAB9A (0.36) | PTGS2TBXA2RHTTALDH1A1MAPT | |
| SCHEMBL13628832 | 0.79 | TRPC5 (0.38) | PTGS2HTTKMT2AALDH1A1MAPT | |
| SCHEMBL2922718 | 0.78 | PTGS2 (0.57) | PTGS2TBXA2RMAPTPARG | |
| SCHEMBL13628821 | 0.77 | MAPT (0.37) | PTGS2TBXA2RKMT2AALDH1A1MAPT | |
| SCHEMBL13628847 | 0.77 | CYP11B2 (0.43) | PTGS2MAPTNPSR1 | |
| SCHEMBL13628857 | 0.77 | CCR2 (0.40) | PTGS2TBXA2RNPSR1KDM4ELMNA | |
| SCHEMBL13628860 | 0.77 | PTGS2 (0.46) | PTGS2TBXA2RMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |