Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.67 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.67 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.67 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.67 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.50 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL22330600 | 0.88 | PTGS2 (0.70) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL15902863 | 0.86 | PTGS2 (0.67) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL17917315 | 0.84 | PTGS2 (0.64) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL29402456 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL29366203 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL14163961 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL30988052 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL4680 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL17922519 | 0.80 | PTGS2 (0.56) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL15902858 | 0.79 | PTGS2 (0.58) | PTGS2PTGS1ABCC4ABCB11PDE4D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3242688-B1 | COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS | REILEY PHARMACEUTICALS INC (US) | 2020-01-29 | — | — | EP | disclosed |