Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5674345 | 0.83 | PTGS2 (0.83) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL5694394 | 0.83 | PTGS2 (0.86) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5674641 | 0.82 | PTGS2 (0.58) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| Carbamic Acid SCHEMBL5858404 | 0.81 | PTGS2 (0.57) | PTGS2PTGS1PDPK1 | |
| SCHEMBL7113078 | 0.75 | PTGS2 (1.00) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6266521 | 0.74 | PTGS1 (0.80) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL3246957 | 0.73 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL8917353 | 0.73 | PTGS2 (0.68) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL19205691 | 0.73 | PTGS2 (0.74) | PTGS2PTGS1PDPK1 | |
| SCHEMBL5859292 | 0.72 | PTGS2 (0.71) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 |
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 |