Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL216750 | 0.83 | PTGS2 (0.69) | PTGS2PTGS1 | |
| SCHEMBL8797135 | 0.81 | MAPT (0.45) | PTGS2PTGS1ACHEKDM4EALDH1A1 | |
| SCHEMBL7841561 | 0.80 | PTGS2 (0.71) | PTGS2PTGS1ROCK2GSK3B | |
| SCHEMBL27605219 | 0.79 | ROCK2 (0.50) | PTGS2PTGS1ROCK2GSK3BMAPK14 | |
| SCHEMBL11368657 | 0.77 | PTGS2 (0.65) | PTGS2PTGS1ROCK2GSK3BTGFBR1 | |
| SCHEMBL8797198 | 0.75 | PTGS2 (0.63) | PTGS2PTGS1 | |
| SCHEMBL7844008 | 0.74 | PTGS2 (0.54) | PTGS2PTGS1ROCK2GSK3BMAPK14 | |
| SCHEMBL6501123 | 0.72 | PTGS2 (0.67) | PTGS2PTGS1MAPK14KDM4E | |
| SCHEMBL8297008 | 0.72 | PTGS2 (0.65) | PTGS2PTGS1 | |
| SCHEMBL7846478 | 0.72 | PTGS2 (0.56) | PTGS2PTGS1ROCK2GSK3BMAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1499315-A1 | COMBINATION OF CYCLOOXYGENASE-2 INHIBITORS AND THALIDOMIDE FOR THE TREATMENT OF NEOPLASIA | Pharmacia Corporation (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003092691-A1 | COMBINATION OF CYCLOOXYGENASE-2 INHIBITORS AND THALIDOMIDE FOR THE TREATMENT OF NEOPLASIA | PHARMACIA COPORATION (US) | 2003-11-13 | — | — | WO | disclosed |