Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 8/20 | 0.39 |
| ▸ | CCKAR | P32238 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9039449 | 0.88 | ALDH1A1 (0.46) | ALDH1A1AGTR1CCKBRCCKARHSD17B10 | |
| SCHEMBL9048213 | 0.87 | CCKBR (0.51) | ALDH1A1AGTR1POLBCCKBRTSHR | |
| SCHEMBL9039031 | 0.86 | CCKBR (0.50) | ALDH1A1AGTR1TP53POLBCCKBR | |
| SCHEMBL9040261 | 0.85 | CCKBR (0.50) | ALDH1A1CCKBRCCKAR | |
| SCHEMBL9039782 | 0.83 | CCKBR (0.49) | ALDH1A1AGTR1CCKBRCCKAR | |
| SCHEMBL9038776 | 0.83 | CCKAR (0.57) | CCKBRCCKARCYP3A4MAPTTSHR | |
| SCHEMBL9043273 | 0.82 | CCKBR (0.51) | ALDH1A1AGTR1POLBCCKBRCCKAR | |
| SCHEMBL9041504 | 0.82 | CCKBR (0.54) | CCKBRCCKAR | |
| SCHEMBL9041314 | 0.81 | CCKBR (0.56) | ALDH1A1AGTR1CCKBR | |
| SCHEMBL9040664 | 0.81 | CCKBR (0.51) | ALDH1A1AGTR1CCKBRCCKAR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0703222-A1 | 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-03-27 | — | — | EP | disclosed |