Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.62 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.62 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170017 | 1.00 | PTGS2 (0.63) | PTGS2PTGS1PDE3AMT-CO2 | |
| SCHEMBL4881634 | 0.88 | PTGS2 (0.77) | PTGS2PTGS1PDE3AMT-CO2 | |
| SCHEMBL8478121 | 0.87 | PTGS2 (0.77) | PTGS2PTGS1MT-CO2 | |
| SCHEMBL6168496 | 0.87 | PTGS2 (0.69) | PTGS2PTGS1PDE3A | |
| SCHEMBL13524347 | 0.86 | PTGS2 (0.73) | PTGS2PTGS1MT-CO2 | |
| SCHEMBL22827984 | 0.85 | PTGS2 (0.66) | PTGS2PTGS1MT-CO2 | |
| SCHEMBL14345129 | 0.83 | PTGS2 (0.65) | PTGS2PTGS1PDE3A | |
| SCHEMBL14345230 | 0.83 | PTGS2 (0.65) | PTGS2PTGS1PDE3A | |
| SCHEMBL14267675 | 0.82 | PTGS2 (0.63) | PTGS2PTGS1MT-CO2 | |
| SCHEMBL6316331 | 0.82 | PTGS2 (0.57) | PTGS2PTGS1MT-CO2 |
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 |