Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 4/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17922519 | 0.75 | PTGS2 (0.56) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612620 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612604 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126117 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126090 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126815 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29612911 | 0.73 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL17917315 | 0.70 | PTGS2 (0.64) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL29080600 | 0.70 | PTGS2 (0.44) | PTGS2PTGS1CNR1CNR2 | |
| SCHEMBL28382612 | 0.70 | PTGS2 (0.44) | PTGS2PTGS1CNR1CNR2 |
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 |