Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | PER2 | O15055 | 1/20 | 0.40 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20386530 | 0.76 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3CYP2C19CYP2A6 | |
| SCHEMBL6313150 | 0.75 | INSR (0.65) | SLC6A2SLC6A4SLC6A3CYP2C19INSR | |
| SCHEMBL312652 | 0.75 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL312782 | 0.74 | SLC6A2 (0.98) | SLC6A2SLC6A4SLC6A3CYP2C19KCNH2 | |
| SCHEMBL929430 | 0.73 | CYP2A6 (0.48) | SLC6A2SLC6A4SLC6A3CYP2A6CTNNB1 | |
| SCHEMBL1601703 | 0.73 | CYP2A6 (0.59) | SLC6A2SLC6A4SLC6A3CYP2A6CTNNB1 | |
| SCHEMBL17010989 | 0.72 | CA2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2A6CTNNB1 | |
| SCHEMBL10051791 | 0.72 | CA2 (0.46) | SLC6A2SLC6A4SLC6A3CYP2C19CYP2A6 | |
| SCHEMBL2960872 | 0.72 | CYP2C19 (0.78) | SLC6A3CYP2C19NR1H2NR1H3KCNH2 | |
| SCHEMBL17740653 | 0.71 | CA2 (0.45) | SLC6A2SLC6A4SLC6A3CYP2C19CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0129478-B1 | 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE | MERCK & CO. INC. (US) | 1990-01-17 | — | — | EP | disclosed |
| US-4788192-A | TOPICALLY APPLYING; FOR GLAUCOMA | MERCK & CO., INC. (US) | 1988-11-29 | — | — | US | disclosed |
| US-4668697-A | Elevated intraocular pressure lowering benzo-[b]-thiophene-2-sulfonamide derivatives, compositions, and method of use therefor | MERCK & CO., INC. (US) | 1987-05-26 | — | — | US | disclosed |
| EP-0129478-A2 | 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure | MERCK & CO. INC. (US) | 1984-12-27 | — | — | EP | disclosed |