Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.51 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CHRND | Q07001 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709952 | 0.81 | CYP1A1 (0.50) | CYP1A1CYP1A2CYP1B1CHRNA1CHRNG | |
| SCHEMBL1145983 | 0.79 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1ALDH1A1GAA | |
| SCHEMBL11986269 | 0.79 | CYP1A1 (0.75) | CYP1A1CYP1A2CYP1B1ALDH1A1GAA | |
| SCHEMBL21709951 | 0.78 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP1B1CHRNA1CHRNG | |
| Hydrogen Sulfide SCHEMBL17008164 | 0.77 | CYP1A1 (0.72) | CYP1A1CYP1A2CYP1B1ALDH1A1GAA | |
| SCHEMBL27778545 | 0.77 | CYP1A1 (0.72) | CYP1A1CYP1A2CYP1B1ALDH1A1GAA | |
| SCHEMBL21709933 | 0.75 | CYP1A1 (0.50) | CYP1A1CYP1A2CYP1B1ALDH1A1GAA | |
| SCHEMBL16146442 | 0.73 | CYP1A1 (0.67) | CYP1A1CYP1A2CYP1B1ALDH1A1GAA | |
| SCHEMBL11023359 | 0.71 | BACE1 (0.48) | CYP1A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL119428 | 0.70 | CHRNA1 (0.50) | CHRNA1CHRNGCHRNB1CHRNB2CHRNB4 |
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-5068248-A | Analgesics, antipyretics and antiinflammatory agents | MERCK & CO., INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0160408-B1 | BENZOTHIOPHENES, THEIR PRODUCTION AND USE, AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1989-08-23 | — | — | EP | disclosed |
| US-4760086-A | N-alkenyl-3-hydroxybenzo[b]thiophene-2-carboxamide derivatives as dual cyclooxygenase and lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1988-07-26 | — | — | US | disclosed |
| EP-0160408-A1 | Benzothiophenes, their production and use, and compositions containing them | MERCK & CO. INC. (US) | 1985-11-06 | — | — | EP | disclosed |