Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.66 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698697 | 0.85 | PTGS2 (0.88) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL212983 | 0.85 | PTGS2 (0.83) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8121503 | 0.85 | PTGS2 (0.83) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8119233 | 0.83 | PTGS2 (0.72) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8119412 | 0.83 | PTGS2 (0.76) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8126281 | 0.82 | PTGS2 (0.71) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8123558 | 0.82 | PTGS2 (0.74) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8126311 | 0.82 | PTGS2 (0.77) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8119016 | 0.81 | PTGS2 (0.72) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 | |
| SCHEMBL8121094 | 0.81 | PTGS2 (0.69) | PTGS2PTGS1CHRNA7CYP2C9PDPK1 |
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 3 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 |