Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | LDHA | P00338 | 2/20 | 0.45 |
| ▸ | LDHB | P07195 | 2/20 | 0.45 |
| ▸ | PDE2A | O00408 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 2/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | EEF2K | O00418 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6809648 | 0.84 | ALDH1A1 (0.51) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL1566692 | 0.82 | CES2 (0.59) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL8078579 | 0.82 | HPGD (0.50) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL1566691 | 0.82 | CES2 (0.59) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL6676161 | 0.82 | CES2 (0.59) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL952055 | 0.81 | PDE2A (0.46) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL840763 | 0.81 | GSK3B (0.47) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL12282201 | 0.81 | CES2 (0.45) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL3964967 | 0.81 | CES2 (0.45) | CES2CES1LDHALDHBPDE2A | |
| SCHEMBL11861772 | 0.79 | KEAP1 (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6034106-A | Oxadiazole benzenesulfonamides as selective β3 Agonist for the treatment of Diabetes and Obesity | MERCK & CO., INC. (US) | 2000-03-07 | — | — | US | disclosed |
| EP-0906310-A4 | OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE -g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY | MERCK & CO INC (US) | 1999-09-01 | — | — | EP | disclosed |
| EP-0906310-A1 | OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE $g(b) 3? AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997046556-A1 | OXADIAZOLE BENZENESULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY | MERCK & CO., INC. (US) | 1997-12-11 | — | — | WO | disclosed |