Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.64 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.64 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.64 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | CCR9 | P51686 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17878838 | 0.85 | PTGS2 (0.71) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL14422875 | 0.83 | PTGS2 (0.67) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL13114284 | 0.83 | PTGS2 (0.67) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL5551731 | 0.83 | PTGS2 (0.67) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL5774670 | 0.81 | PTGS2 (0.64) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL16093186 | 0.81 | PTGS2 (0.64) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL14429592 | 0.80 | PTGS2 (0.63) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL2126117 | 0.78 | PTGS2 (0.65) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| Etoricoxib SCHEMBL4680 | 0.78 | PTGS2 (1.00) | PTGS2PTGS1ABCC4ABCB11PDE4D | |
| SCHEMBL14422878 | 0.78 | PTGS2 (0.65) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2023063884-A2 | GENERATION OF CHIRAL SULFINATE ESTERS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2023-04-20 | — | — | WO | disclosed |