Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.76 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.70 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.70 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698606 | 1.00 | PTGS2 (0.76) | PTGS2CHRNA7PTGS1PDPK1SMN1; SMN2 | |
| SCHEMBL2602400 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1PDPK1 | |
| SCHEMBL2615132 | 0.87 | PTGS2 (0.76) | PTGS2CHRNA7PTGS1PDPK1 | |
| SCHEMBL5226958 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1PDPK1 | |
| SCHEMBL6344415 | 0.86 | PTGS2 (0.73) | PTGS2CHRNA7PTGS1PDPK1SMN1; SMN2 | |
| SCHEMBL14280457 | 0.86 | PTGS2 (0.90) | PTGS2PTGS1PDPK1 | |
| SCHEMBL5698697 | 0.85 | PTGS2 (0.88) | PTGS2CHRNA7PTGS1PDPK1SMN1; SMN2 | |
| SCHEMBL3103964 | 0.85 | PTGS2 (0.78) | PTGS2PTGS1PDPK1 | |
| SCHEMBL212983 | 0.85 | PTGS2 (0.83) | PTGS2CHRNA7PTGS1PDPK1 | |
| SCHEMBL8121503 | 0.85 | PTGS2 (0.83) | PTGS2CHRNA7PTGS1PDPK1 |
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-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-2005041879-A2 | COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA | PHARMACIA CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |