Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRB | P24530 | 1/20 | 0.45 |
| ▸ | EDNRA | P25101 | 1/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 6/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL28352146 | 0.80 | TSHR (0.50) | KCNN4ALDH1A1CES1MAPTKIF11 | |
| SCHEMBL6446346 | 0.80 | GABRA1 (0.37) | EDNRBEDNRAKCNN4KCNE1KCNQ1 | |
| SCHEMBL19283984 | 0.79 | ALDH1A1 (0.42) | KCNN4HDAC6HDAC3HDAC1HDAC2 | |
| SCHEMBL30501782 | 0.77 | KCNN4 (0.50) | KCNN4KCNE1KCNQ1AKR1C3AKR1C2 | |
| SCHEMBL1239901 | 0.77 | KCNN4 (0.50) | KCNN4KCNE1KCNQ1AKR1C3AKR1C2 | |
| SCHEMBL2723142 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GAAKIF11CYP2C19 | |
| SCHEMBL29697583 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GAAKIF11CYP2C19 | |
| SCHEMBL6120771 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GAAKIF11CYP2C19 | |
| SCHEMBL12940368 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GAAKIF11CYP2C19 | |
| SCHEMBL29649169 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GAAKIF11CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |