Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | PRNP | P04156 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11070847 | 1.00 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTPRNPNPSR1 | |
| SCHEMBL9065305 | 0.86 | ALDH1A1 (0.43) | ALDH1A1KDM4EMAPTPRNPNPSR1 | |
| SCHEMBL15956153 | 0.83 | GSTP1 (0.56) | ALDH1A1KDM4EMAPTGSTP1GSTM2 | |
| SCHEMBL7977007 | 0.83 | GSTP1 (0.56) | ALDH1A1KDM4EMAPTGSTP1GSTM2 | |
| SCHEMBL8148680 | 0.81 | GSTP1 (0.60) | ALDH1A1KDM4EMAPTGSTP1GSTM2 | |
| SCHEMBL8903114 | 0.81 | GSTP1 (0.60) | ALDH1A1KDM4EMAPTGSTP1GSTM2 | |
| SCHEMBL859168 | 0.81 | SMN1; SMN2 (0.55) | ALDH1A1MAPTPRNPNPSR1RXFP1 | |
| SCHEMBL11004997 | 0.81 | PRNP (0.51) | ALDH1A1KDM4EMAPTPRNPNPSR1 | |
| SCHEMBL11004988 | 0.81 | PRNP (0.51) | ALDH1A1KDM4EMAPTPRNPNPSR1 | |
| SCHEMBL13868159 | 0.79 | APEX1 (0.48) | ALDH1A1MAPTPRNPNPSR1RXFP1 |
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 |