Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 3/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CDC25A | P30304 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5810898 | 0.89 | PTGS1 (0.48) | PTGS1PTGS2PTPN5ALDH1A1POLB | |
| SCHEMBL8891252 | 0.80 | HTT (0.43) | PTGS1PTGS2PTPN5ALDH1A1POLB | |
| SCHEMBL31429079 | 0.77 | SMN1; SMN2 (0.41) | ALDH1A1L3MBTL1MAPT | |
| SCHEMBL7698626 | 0.77 | GAA (0.49) | PTGS1PTGS2PTPN5ALDH1A1POLB | |
| SCHEMBL27889099 | 0.77 | LMNA (0.47) | ALDH1A1L3MBTL1 | |
| SCHEMBL7693001 | 0.76 | AKR1C2 (0.49) | PTPN5ALDH1A1POLBMAPT | |
| SCHEMBL7699710 | 0.75 | AKR1C2 (0.46) | PTGS1PTGS2PTPN5ALDH1A1POLB | |
| SCHEMBL6013487 | 0.75 | AKR1C2 (0.46) | PTGS1PTGS2PTPN5ALDH1A1POLB | |
| SCHEMBL7694013 | 0.75 | AKR1C2 (0.46) | PTGS1PTGS2PTPN5ALDH1A1POLB | |
| SCHEMBL5809599 | 0.74 | ESR1 (0.38) | L3MBTL1 |
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 2 patents. 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 |
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | disclosed |