Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 8/20 | 0.80 |
| ▸ | PTGS2 | P35354 | 14/20 | 0.78 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | THPO | P40225 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.65 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL31543731 | 1.00 | PTGS1 (0.80) | PTGS1PTGS2PDPK1CYP2C9CYP1A2 | |
| SCHEMBL18448495 | 0.89 | PTGS1 (1.00) | PTGS1PTGS2PDPK1CYP2C9CYP3A4 | |
| SCHEMBL30991359 | 0.88 | PTGS1 (0.73) | PTGS1PTGS2PDPK1CYP2C9CYP1A2 | |
| SCHEMBL7113078 | 0.88 | PTGS2 (1.00) | PTGS1PTGS2PDPK1CYP2C9CYP1A2 | |
| SCHEMBL2695601 | 0.88 | PTGS1 (0.80) | PTGS1PTGS2PDPK1CYP2C9 | |
| SCHEMBL5430134 | 0.88 | PTGS1 (0.80) | PTGS1PTGS2PDPK1CYP2C9CYP3A4 | |
| SCHEMBL17077240 | 0.88 | PTGS1 (0.80) | PTGS1PTGS2PDPK1CYP2C9 | |
| SCHEMBL2698009 | 0.87 | PDPK1 (0.73) | PTGS1PTGS2PDPK1CYP2C9CYP1A2 | |
| SCHEMBL29503530 | 0.87 | PTGS1 (0.79) | PTGS1PTGS2PDPK1CYP2C9 | |
| SCHEMBL3276806 | 0.87 | PTGS1 (0.79) | PTGS1PTGS2PDPK1CYP2C9 |
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 |