Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.41 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 2/20 | 0.39 |
| ▸ | LDHB | P07195 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857916 | 0.86 | AKR1C2 (0.39) | AKR1C3AKR1C2FABP3FABP4LDHA | |
| SCHEMBL9776295 | 0.84 | PTGS2 (0.43) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL9857529 | 0.77 | — | — | |
| SCHEMBL9857503 | 0.77 | PTGS2 (0.43) | PTGS2 | |
| SCHEMBL9776300 | 0.74 | PTGS2 (0.44) | PTGS2 | |
| SCHEMBL17323547 | 0.74 | FABP3 (0.69) | FABP3FABP4LDHALDHB | |
| SCHEMBL9857622 | 0.73 | AKR1C2 (0.42) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL25452709 | 0.72 | FABP3 (0.57) | FABP3FABP4LDHALDHB | |
| SCHEMBL4069702 | 0.71 | HSP90AA1 (0.44) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL11123204 | 0.69 | PTGS2 (0.40) | PTGS2 |
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 |