Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 3/20 | 0.57 |
| ▸ | PPARG | P37231 | 1/20 | 0.57 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.48 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8149853 | 1.00 | PPARA (0.57) | PPARAPPARGCASP1ITGB3ITGA2B | |
| SCHEMBL11004545 | 1.00 | PPARA (0.57) | PPARAPPARGCASP1ITGB3ITGA2B | |
| SCHEMBL8904513 | 0.90 | GSTP1 (0.58) | PPARAPPARGGSTP1GSTM2CA2 | |
| SCHEMBL8904508 | 0.90 | GSTP1 (0.58) | PPARAPPARGGSTP1GSTM2CA2 | |
| SCHEMBL1541597 | 0.84 | CASP1 (0.62) | PPARAPPARGCASP1ITGB3ITGA2B | |
| SCHEMBL6487973 | 0.84 | CASP1 (0.62) | PPARAPPARGCASP1ITGB3ITGA2B | |
| SCHEMBL4973400 | 0.84 | CASP1 (0.62) | PPARAPPARGCASP1ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL10669283 | 0.84 | PPARA (0.47) | PPARAPPARGCASP1ITGB3ITGA2B | |
| SCHEMBL7810068 | 0.83 | CASP1 (0.61) | PPARAPPARGCASP1ITGB3ITGA2B | |
| SCHEMBL7810073 | 0.83 | CASP1 (0.61) | PPARAPPARGCASP1ITGB3ITGA2B |
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 |