Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL22646308 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MAPK1 | |
| SCHEMBL21868843 | 0.78 | — | — | |
| SCHEMBL21868951 | 0.77 | ALDH1A1 (0.40) | ALDH1A1MAPK1HSD17B10 | |
| SCHEMBL21868840 | 0.73 | MAPK1 (0.32) | ALDH1A1MAPK1 | |
| SCHEMBL21869101 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPK1 | |
| SCHEMBL21869151 | 0.70 | SLC10A1 (0.52) | — | |
| SCHEMBL24571106 | 0.69 | MAPK1 (0.36) | ALDH1A1MAPK1HTT | |
| SCHEMBL21378233 | 0.67 | KMT2A (0.44) | ALDH1A1MAPK1HTT | |
| SCHEMBL24890429 | 0.66 | MAPK1 (0.38) | ALDH1A1MAPK1HTT | |
| SCHEMBL21868952 | 0.66 | HSP90AA1 (0.36) | ALDH1A1MAPK1HSP90AA1HSP90AB1HTT |
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-3628674-A1 | BICYCLIC NUCLEOCAPSID INHIBITOR AND USE OF SAME AS DRUG IN TREATMENT OF HEPATITIS B | Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) | 2020-04-01 | — | — | EP | disclosed |