Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857896 | 0.84 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL5171500 | 0.84 | PTGS2 (0.48) | PTGS2PTGS1DAPK3NTRK1PIM1 | |
| SCHEMBL9858013 | 0.77 | AKR1C3 (0.41) | PTGS2 | |
| SCHEMBL9857529 | 0.75 | — | — | |
| SCHEMBL9744303 | 0.74 | PTGS2 (0.37) | PTGS2PTGS1DAPK3NTRK1PIM1 | |
| SCHEMBL10741025 | 0.74 | PTGS2 (0.47) | PTGS2PTGS1DAPK3NTRK1PIM1 | |
| SCHEMBL10496205 | 0.73 | PTGS2 (0.43) | PTGS2PTGS1 | |
| SCHEMBL10496199 | 0.73 | PTGS2 (0.43) | PTGS2PTGS1 | |
| SCHEMBL12030880 | 0.73 | ALB (0.43) | — | |
| SCHEMBL8846395 | 0.72 | PTGS2 (0.44) | PTGS2PTGS1DAPK3NTRK1PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5072023-A | Reacting lactone with ester anion to form cyclohexenone ester; oxidizing or dehydrogenating the intermediate | E. R. SQUIBB & SONS, INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0442495-A1 | Process for preparing highly substituted phenyls | E.R. SQUIBB & SONS, INC. (US) | 1991-08-21 | — | — | EP | disclosed |