Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 15/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5337610 | 1.00 | PTGS2 (0.47) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL2465658 | 0.86 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL5333903 | 0.84 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL27448843 | 0.82 | CA2 (0.53) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL5309164 | 0.82 | CA1 (0.55) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL5314094 | 0.77 | PTGS2 (0.69) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL348732 | 0.77 | PTGS2 (0.57) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL348162 | 0.77 | PTGS2 (0.57) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL7216191 | 0.77 | PTGS2 (0.69) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL5958927 | 0.76 | CA2 (0.67) | PTGS2PTGS1CA1CA2CA9 |
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-2205075-A1 | THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS | Tragara Pharmaceuticals, Inc. (US) | 2010-07-14 | — | — | EP | claimed |
| WO-2009042612-A1 | THERAPIES FOR TREATING CANCER USING COMBINATIONS OF COX-2 INHIBITORS AND AROMATASE INHIBITORS OR COMBINATIONS OF COX-2 INHIBITORS AND ESTROGEN RECEPTOR ANTAGONISTS | TRAGARA PHARMACEUTICALS, INC. (US) | 2009-04-02 | — | — | WO | claimed |