Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.88 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.82 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112204 | 0.95 | PTGS2 (0.80) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL8112778 | 0.95 | PTGS2 (0.80) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL212707 | 0.95 | PTGS2 (0.80) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL212983 | 0.94 | PTGS2 (0.83) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL8114069 | 0.94 | PTGS2 (0.79) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL8119659 | 0.94 | PTGS2 (0.79) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL8111712 | 0.94 | PTGS2 (0.79) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6906481 | 0.94 | PTGS2 (0.79) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL8112050 | 0.94 | PTGS2 (0.79) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 | |
| SCHEMBL8121503 | 0.94 | PTGS2 (0.83) | PTGS2PTGS1PDPK1CYP2C9CHRNA7 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731796-B1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-08-02 | — | — | EP | claimed |
| EP-1682143-A2 | COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | Pharmacia Corporation (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005044194-A2 | TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR | PHARMACIA CORPORATION (US) | 2005-05-19 | — | — | WO | disclosed |
| WO-2005041879-A2 | COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |
| EP-0731796-B1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-08-02 | — | — | EP | disclosed |
| EP-0731796-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | disclosed |
| US-5434178-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G.D. SEARLE & CO. (US) | 1995-07-18 | — | — | US | disclosed |
| WO-1995015318-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |