Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | MTOR | P42345 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25407722 | 1.00 | ADORA2B (0.42) | ADORA2BPDE4BTDP1HSD17B10POLB | |
| SCHEMBL25408350 | 0.90 | ADORA2B (0.47) | ADORA2BPDE4BHSD17B10HPGDHTT | |
| SCHEMBL30349777 | 0.90 | ADORA2B (0.47) | ADORA2BPDE4BHSD17B10HPGDHTT | |
| SCHEMBL25407320 | 0.89 | HSD17B10 (0.46) | ADORA2BHSD17B10GSK3BHPGDHTT | |
| SCHEMBL30349827 | 0.83 | KDM4E (0.41) | ADORA2BPDE4BADORA2A | |
| SCHEMBL30349743 | 0.83 | ALDH1A1 (0.44) | ADORA2BPDE4BADORA2A | |
| SCHEMBL25408308 | 0.83 | ALDH1A1 (0.44) | ADORA2BPDE4BADORA2A | |
| SCHEMBL25406873 | 0.83 | KDM4E (0.41) | ADORA2BPDE4BADORA2A | |
| SCHEMBL25436149 | 0.81 | PRKDC (0.38) | ADORA2BPDE4BATMPIK3CAMTOR | |
| SCHEMBL30349870 | 0.81 | PRKDC (0.38) | ADORA2BPDE4BATMPIK3CAMTOR |
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-115867277-A | Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof | 韩国科学技术研究院 | 2023-03-28 | — | — | CN | disclosed |