Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.60 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.60 |
| ▸ | PPARA | Q07869 | 3/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.52 |
| ▸ | CTSL | P07711 | 10/20 | 0.49 |
| ▸ | CTSB | P07858 | 10/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TGM2 | P21980 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8148680 | 1.00 | GSTP1 (0.60) | GSTP1GSTM2PPARAPPARGCTSL | |
| SCHEMBL10664074 | 0.87 | ALDH1A1 (0.56) | GSTP1GSTM2PPARAPPARGCTSL | |
| SCHEMBL8904012 | 0.82 | PPARA (0.57) | GSTP1GSTM2PPARAPPARGCTSL | |
| SCHEMBL11004545 | 0.82 | PPARA (0.57) | GSTP1GSTM2PPARAPPARGCTSL | |
| SCHEMBL8149853 | 0.82 | PPARA (0.57) | GSTP1GSTM2PPARAPPARGCTSL | |
| SCHEMBL15956153 | 0.82 | GSTP1 (0.56) | GSTP1GSTM2PPARAPPARGCTSL | |
| SCHEMBL7977007 | 0.82 | GSTP1 (0.56) | GSTP1GSTM2PPARAPPARGCTSL | |
| SCHEMBL8905165 | 0.81 | ALDH1A1 (0.53) | GSTP1GSTM2KDM4EALDH1A1MAPT | |
| SCHEMBL11070847 | 0.81 | ALDH1A1 (0.53) | GSTP1GSTM2KDM4EALDH1A1MAPT | |
| SCHEMBL6487973 | 0.80 | CASP1 (0.62) | PPARAPPARGCTSLCTSBTACR1 |
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 |