Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.40 |
| ▸ | MAX | P61244 | 1/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL27461471 | 1.00 | ALDH1A1 (0.48) | ALDH1A1HTTMAPTPPARAPPARG | |
| SCHEMBL8903728 | 0.92 | PPARA (0.45) | ALDH1A1HTTPPARAPPARGGSTP1 | |
| SCHEMBL1562149 | 0.92 | PPARA (0.45) | ALDH1A1HTTPPARAPPARGGSTP1 | |
| SCHEMBL1562148 | 0.92 | PPARA (0.45) | ALDH1A1HTTPPARAPPARGGSTP1 | |
| SCHEMBL8905692 | 0.88 | L3MBTL1 (0.55) | ALDH1A1PPARAPPARGGSTP1GSTM2 | |
| SCHEMBL1562181 | 0.88 | L3MBTL1 (0.55) | ALDH1A1PPARAPPARGGSTP1GSTM2 | |
| SCHEMBL1562183 | 0.88 | L3MBTL1 (0.55) | ALDH1A1PPARAPPARGGSTP1GSTM2 | |
| SCHEMBL20477379 | 0.88 | AAK1 (0.48) | PPARAPPARGGSTP1GSTM2CTSS | |
| SCHEMBL20477382 | 0.88 | AAK1 (0.48) | PPARAPPARGGSTP1GSTM2CTSS | |
| SCHEMBL1561534 | 0.88 | PPARA (0.45) | ALDH1A1MAPTPPARAPPARGGSTP1 |
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-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 |
| CN-1083485-A | Benzo thia azepine and benzo oxa-azepine derivatives | PFIZER (US) | 1994-03-09 | — | — | CN | disclosed |
| WO-1994001421-A1 | BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS | PFIZER INC. (US) | 1994-01-20 | — | — | WO | disclosed |