Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.73 |
| ▸ | PDPK1 | O15530 | 5/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.72 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.72 |
| ▸ | PTGES | O14684 | 1/20 | 0.72 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.72 |
| ▸ | CA12 | O43570 | 1/20 | 0.72 |
| ▸ | PDE5A | O76074 | 1/20 | 0.72 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.72 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.72 |
| ▸ | CA1 | P00915 | 1/20 | 0.72 |
| ▸ | CA2 | P00918 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.72 |
| ▸ | CA3 | P07451 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.72 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL6721381 | 0.88 | PTGS2 (0.79) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| SCHEMBL15409313 | 0.87 | PTGS2 (0.73) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| SCHEMBL5430673 | 0.84 | PTGS2 (1.00) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| Celecoxib SCHEMBL3669597 | 0.84 | PTGS2 (1.00) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| Celecoxib SCHEMBL3708 | 0.84 | PTGS2 (1.00) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| SCHEMBL6721625 | 0.83 | PTGS2 (0.73) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| Celecoxib SCHEMBL9998656 | 0.83 | PTGS2 (0.98) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| Celecoxib SCHEMBL354683 | 0.83 | PTGS2 (0.98) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| SCHEMBL5673015 | 0.83 | PDPK1 (1.00) | PTGS2PDPK1CYP2C9PTGS1PTGES | |
| Celecoxib SCHEMBL3785427 | 0.83 | PTGS2 (0.98) | PTGS2PDPK1CYP2C9PTGS1PTGES |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1414526-A2 | ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER | Pharmacia Corporation (US) | 2004-05-06 | — | — | EP | disclosed |
| WO-2002085459-A2 | ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER | PHARMACIA CORPORATION (US) | 2002-10-31 | — | — | WO | disclosed |
| EP-1140192-A2 | USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA | G.D. SEARLE & CO. (US) | 2001-10-10 | — | — | EP | disclosed |
| EP-1140179-A2 | USE OF A CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA | G.D. SEARLE & CO. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000038730-A2 | USE OF A CYCLOOXYGENASE-2 INHIBITOR AND ONE OR MORE ANTINEOPLASTIC AGENTS FOR COMBINATION THERAPY IN NEOPLASIA | G.D. SEARLE & CO. (US) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000038786-A2 | USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA | G.D. SEARLE & CO. (US) | 2000-07-06 | — | — | WO | disclosed |