Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.54 |
| ▸ | CA1 | P00915 | 6/20 | 0.54 |
| ▸ | CA9 | Q16790 | 6/20 | 0.54 |
| ▸ | CA12 | O43570 | 5/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 10/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | TNKS | O95271 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3490095 | 0.84 | KDM4E (0.50) | CA2CA1CA9CA12 | |
| SCHEMBL7090696 | 0.78 | CA2 (0.66) | CA2CA1CA9CA12PTGS2 | |
| SCHEMBL7278194 | 0.75 | NOTUM (0.45) | — | |
| SCHEMBL308881 | 0.73 | CA2 (1.00) | CA2CA1CA9CA12PTGS2 | |
| SCHEMBL6482321 | 0.73 | CA2 (1.00) | CA2CA1CA9CA12PTGS2 | |
| Hydrochloric Acid SCHEMBL30685243 | 0.71 | CA2 (0.95) | CA2CA1CA9CA12PTGS2 | |
| SCHEMBL11753299 | 0.71 | NOTUM (0.44) | PTGS2 | |
| SCHEMBL6342030 | 0.69 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL6342623 | 0.69 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL7090564 | 0.69 | PTGS2 (0.60) | CA2CA1CA9CA12PTGS2 |
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 |