Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6260471 | 0.82 | PTGS2 (0.35) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL27525108 | 0.78 | PTGS2 (0.69) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL27525134 | 0.75 | PTGS2 (0.68) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL27531289 | 0.74 | PTGS2 (0.68) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6348199 | 0.72 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL6352119 | 0.72 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL213308 | 0.72 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL5608566 | 0.70 | PTGS2 (0.79) | PTGS2PTGS1ABCB11ALDH1A1CA12 | |
| SCHEMBL6343102 | 0.70 | PTGS2 (0.84) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6339701 | 0.70 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 |
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 |