Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.58 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.58 |
| ▸ | KYNU | Q16719 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.45 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8904513 | 1.00 | GSTP1 (0.58) | GSTP1GSTM2KYNUALDH1A1ALOX15 | |
| SCHEMBL8149853 | 0.90 | PPARA (0.57) | GSTP1GSTM2CTSKCTSSCTSL | |
| SCHEMBL8904012 | 0.90 | PPARA (0.57) | GSTP1GSTM2CTSKCTSSCTSL | |
| SCHEMBL11004545 | 0.90 | PPARA (0.57) | GSTP1GSTM2CTSKCTSSCTSL | |
| SCHEMBL6576404 | 0.85 | KYNU (0.58) | GSTP1GSTM2KYNUALDH1A1ALOX15 | |
| SCHEMBL4968729 | 0.85 | KYNU (0.58) | GSTP1GSTM2KYNUALDH1A1ALOX15 | |
| SCHEMBL7564546 | 0.85 | KYNU (0.58) | GSTP1GSTM2KYNUALDH1A1ALOX15 | |
| SCHEMBL23961328 | 0.83 | KYNU (0.62) | GSTP1GSTM2KYNUALDH1A1ALOX15 | |
| SCHEMBL6840852 | 0.83 | KYNU (0.62) | GSTP1GSTM2KYNUALDH1A1ALOX15 | |
| SCHEMBL6840850 | 0.83 | KYNU (0.62) | GSTP1GSTM2KYNUALDH1A1ALOX15 |
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 |