Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.61 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.57 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL16052791 | 1.00 | PTGS2 (0.64) | PTGS2PTGS1AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL17439304 | 1.00 | PTGS2 (0.64) | PTGS2PTGS1AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL9720721 | 0.89 | MAOB (0.55) | PTGS2PTGS1AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL9720723 | 0.89 | MAOB (0.55) | PTGS2PTGS1AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL444872 | 0.87 | PTGS2 (0.69) | PTGS2PTGS1 | |
| Water SCHEMBL27918427 | 0.84 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL7492252 | 0.82 | NFE2L2 (0.62) | PTGS2PTGS1AKR1C3NFE2L2 | |
| SCHEMBL9720714 | 0.81 | MAOB (0.49) | PTGS2PTGS1AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL27722400 | 0.81 | PTGS2 (0.59) | PTGS2AKR1C2AKR1C1AKR1C3 | |
| SCHEMBL6470141 | 0.80 | PTGS2 (0.74) | PTGS2PTGS1 |
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 |