Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PYGL | P06737 | 2/20 | 0.38 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1561567 | 1.00 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1HTTPYGLPDK1 | |
| SCHEMBL8904838 | 1.00 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1HTTPYGLPDK1 | |
| SCHEMBL27391920 | 1.00 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1HTTPYGLPDK1 | |
| SCHEMBL8904801 | 0.92 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1HTTPYGLMAPT | |
| SCHEMBL8904797 | 0.92 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1HTTPYGLMAPT | |
| SCHEMBL27372381 | 0.92 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1HTTPYGLMAPT | |
| SCHEMBL1561729 | 0.88 | MAPT (0.53) | ALDH1A1L3MBTL1HTTMAPTPPARG | |
| SCHEMBL29079146 | 0.88 | AAK1 (0.43) | ALDH1A1PDK1MAPTPPARGPPARA | |
| SCHEMBL1562131 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HTTMAPTPPARGPPARA | |
| SCHEMBL9221220 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HTTMAPTPPARGPPARA |
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 |
|---|---|---|---|---|---|---|---|
| US-5618808-A | Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists | PFIZER, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0648213-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| WO-1994001421-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1994-01-20 | — | — | WO | disclosed |