Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.72 |
| ▸ | GHSR | Q92847 | 1/20 | 0.53 |
| ▸ | ITGA1 | P56199 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7258961 | 0.84 | HTR6 (0.72) | HTR6GHSRCA1CA2CA9 | |
| SCHEMBL5830405 | 0.84 | HTR6 (1.00) | HTR6CA1CA2CA9CA12 | |
| SCHEMBL25803036 | 0.83 | ITGA1 (0.67) | ITGA1CA1CA2CA9UCHL1 | |
| Propane SCHEMBL7208109 | 0.81 | HTR6 (0.67) | HTR6GHSRUCHL1FFAR1FFAR4 | |
| SCHEMBL21001863 | 0.81 | CA1 (0.67) | HTR6GHSRCA1CA2CA9 | |
| Propane SCHEMBL7213022 | 0.81 | HTR6 (0.67) | HTR6GHSRUCHL1FFAR1FFAR4 | |
| SCHEMBL2472658 | 0.81 | HTR6 (0.67) | HTR6GHSRCA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL4912486 | 0.80 | HTR6 (0.65) | HTR6GHSRCA1CA2CA9 | |
| SCHEMBL168309 | 0.75 | TAAR1 (0.56) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8795265 | 0.75 | HTR6 (0.82) | HTR6GHSRCA1CA2CA9 |
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-0611003-B1 | Substituted phenyl sulfonamides as selective B3 agonists for the treatment of diabetes and obesity | MERCK & CO INC (US) | 1997-06-18 | — | — | EP | disclosed |
| WO-1994018161-A1 | SUBSTITUTED PHENYL SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY | MERCK & CO., INC. (US) | 1994-08-18 | — | — | WO | disclosed |
| EP-0611003-A1 | Substituted phenyl sulfonamides as selective B3 agonists for the treatment of diabetes and obesity | MERCK & CO. INC. (US) | 1994-08-17 | — | — | EP | disclosed |