Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.82 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8933877 | 0.90 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8471848 | 0.90 | PTGS2 (0.84) | PTGS2PTGS1CYP1A2CYP2D6GRIA2 | |
| SCHEMBL8933971 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8933916 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1CYP1A2CYP2D6GRIA2 | |
| SCHEMBL8933921 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8933906 | 0.79 | PTGS2 (0.80) | PTGS2PTGS1 | |
| SCHEMBL8933893 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8934224 | 0.76 | PTGS2 (0.84) | PTGS2PTGS1CYP1A2CYP2D6GRIA2 | |
| SCHEMBL8933829 | 0.74 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8933896 | 0.74 | PTGS2 (0.72) | PTGS2PTGS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1996009304-A1 | BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-03-28 | — | — | WO | disclosed |