Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8811949 | 0.94 | ADRA1A (0.43) | DRD2ADRA1AHSD11B1PARP1 | |
| SCHEMBL8811945 | 0.94 | ADRA1A (0.43) | DRD2ADRA1AHSD11B1PARP1 | |
| SCHEMBL8808448 | 0.86 | ADRA1A (0.34) | DRD2ADRA1AHSD11B1PARP1 | |
| SCHEMBL8808442 | 0.86 | ADRA1A (0.34) | DRD2ADRA1AHSD11B1PARP1 | |
| SCHEMBL16635504 | 0.74 | HTR1A (0.45) | DRD2PARP1 | |
| SCHEMBL16635902 | 0.69 | DRD2 (0.54) | DRD2ADRA1AHSD11B1 | |
| SCHEMBL9964020 | 0.69 | DRD2 (0.61) | DRD2ADRA1AHSD11B1 | |
| SCHEMBL15139403 | 0.69 | DRD2 (0.61) | DRD2ADRA1AHSD11B1 | |
| SCHEMBL1874596 | 0.69 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1 | |
| SCHEMBL1875289 | 0.69 | ADRA1A (0.49) | DRD2ADRA1AHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105636947-B | N- heteroaryl (thio) carbonyl -2- (Benzocycloalkene -1- base) cyclammonium and its purposes as fungicide | 拜耳作物科学股份公司 | 2019-05-07 | — | — | CN | disclosed |