Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.64 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | RARA | P10276 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 1/20 | 0.53 |
| ▸ | RARG | P13631 | 1/20 | 0.53 |
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5685290 | 0.89 | PTGS2 (0.65) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL15779249 | 0.79 | PTGS2 (0.43) | PTGS2PTGS1CYP2C9EPHX2 | |
| SCHEMBL8610309 | 0.78 | PTGS2 (1.00) | PTGS2ALOX5PTGS1CYP2C9 | |
| SCHEMBL13236931 | 0.78 | PTGS2 (0.65) | PTGS2ALOX5PTGS1CYP2C9 | |
| SCHEMBL6496545 | 0.77 | PTGS1 (0.65) | PTGS2PTGS1CYP2C9EPHX2 | |
| SCHEMBL8421124 | 0.76 | PTGS2 (0.89) | PTGS2RARARARBRARGRXRA | |
| SCHEMBL8424106 | 0.76 | PTGS2 (0.66) | PTGS2RARARARBRARGRXRA | |
| SCHEMBL5865454 | 0.75 | PTGS2 (0.62) | PTGS2ALOX5PTGS1CYP2C9 | |
| SCHEMBL8648423 | 0.75 | TP53 (0.52) | PTGS2CYP2C9 | |
| SCHEMBL8648424 | 0.75 | PTGS2 (0.48) | PTGS2ALOX5PTGS1CYP2C9 |
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 |