Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | ADAMTS5 | Q9UNA0 | 3/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17787758 | 0.85 | ALDH1A1 (0.59) | ALDH1A1POLBBACE1KCNH2HRH3 | |
| SCHEMBL8903163 | 0.83 | YAP1 (0.58) | ALDH1A1POLBBACE1KCNH2HRH3 | |
| SCHEMBL4034093 | 0.83 | ALDH1A1 (0.57) | ALDH1A1POLBKCNH2HRH3ADAMTS5 | |
| SCHEMBL9042120 | 0.83 | ALDH1A1 (0.57) | ALDH1A1POLBBACE1KCNH2HRH3 | |
| SCHEMBL4198757 | 0.81 | NAMPT (0.65) | ALDH1A1POLBKCNH2HRH3ADAMTS5 | |
| SCHEMBL27888979 | 0.80 | KCNH2 (0.73) | ALDH1A1POLBBACE1KCNH2HRH3 | |
| SCHEMBL1531725 | 0.80 | KCNH2 (0.59) | ALDH1A1POLBBACE1KCNH2HRH3 | |
| SCHEMBL6245254 | 0.80 | NAMPT (0.64) | ALDH1A1POLBKCNH2HRH3ADAMTS5 | |
| Hydrogen Sulfide SCHEMBL27863722 | 0.79 | KCNH2 (0.58) | ALDH1A1POLBBACE1KCNH2HRH3 | |
| SCHEMBL19703079 | 0.78 | POLB (0.52) | ALDH1A1POLBBACE1KCNH2HRH3 |
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 |