Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 15/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.51 |
| ▸ | MELK | Q14680 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6289849 | 0.87 | PTGS2 (0.59) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6294248 | 0.86 | PTGS2 (0.63) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6291198 | 0.86 | PTGS2 (0.60) | IDO1PTGS2PTGS1 | |
| SCHEMBL6180979 | 0.86 | PTGS2 (0.63) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6291219 | 0.85 | PTGS2 (0.58) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6293882 | 0.85 | IDO1 (0.49) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6291197 | 0.83 | PTGS2 (0.62) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6291082 | 0.83 | PTGS2 (0.62) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6291235 | 0.83 | PTGS2 (0.59) | IDO1PTGS2TDO2PTGS1 | |
| SCHEMBL6178888 | 0.82 | IDO1 (0.47) | IDO1PTGS2TDO2PTGS1 |
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 |