Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | SLC6A12 | P48065 | 3/20 | 0.32 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.32 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102863 | 0.80 | HSD11B1 (0.38) | HSD11B1CYP2C9 | |
| SCHEMBL1787432 | 0.78 | HSD11B1 (1.00) | HSD11B1CYP2C9SLC6A12SLC6A11SLC6A13 | |
| SCHEMBL17317456 | 0.74 | HSD11B1 (0.51) | HSD11B1CYP2C9 | |
| SCHEMBL19618076 | 0.73 | CYP2C9 (0.41) | HSD11B1CYP2C9 | |
| SCHEMBL8098773 | 0.73 | HSD11B1 (0.50) | HSD11B1 | |
| SCHEMBL546128 | 0.72 | CYP2C9 (0.61) | CYP2C9 | |
| SCHEMBL7258876 | 0.71 | CYP2C9 (0.42) | HSD11B1CYP2C9 | |
| SCHEMBL28240258 | 0.70 | HSD11B1 (0.45) | HSD11B1SLC6A12SLC6A11SLC6A13 | |
| Acrylic Acid SCHEMBL5147956 | 0.69 | CYP2C9 (0.41) | HSD11B1CYP2C9 | |
| SCHEMBL7859286 | 0.68 | HSD11B1 (0.58) | HSD11B1SLC6A12SLC6A11SLC6A13 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0661271-B1 | AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS | ASAHI CHEMICAL IND (JP) | 2000-04-26 | — | — | EP | disclosed |
| US-5658923-A | USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1997-08-19 | — | — | US | disclosed |
| EP-0661271-A1 | AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-07-05 | — | — | EP | disclosed |