Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28871267 | 1.00 | DDAH1 (0.53) | DDAH1ADORA3ADORA1ADORA2ACHEK1 | |
| SCHEMBL9754832 | 0.86 | ALDH1A1 (0.46) | DDAH1ADORA3ADORA1ADORA2ACHEK1 | |
| SCHEMBL28871299 | 0.83 | POLB (0.44) | GRM2ALDH1A1 | |
| SCHEMBL29968130 | 0.83 | POLB (0.44) | GRM2ALDH1A1 | |
| SCHEMBL4068221 | 0.82 | ALDH1A1 (0.35) | DDAH1CHEK1GRM2ALDH1A1HTR6 | |
| SCHEMBL38663405 | 0.82 | BACE1 (0.38) | CHEK1GAAALDH1A1HTR6 | |
| SCHEMBL14300571 | 0.82 | TDP1 (0.40) | CHEK1SMN1; SMN2ALDH1A1HTR6 | |
| SCHEMBL2899660 | 0.80 | DDAH1 (0.55) | DDAH1ADORA3ADORA1ADORA2ACHEK1 | |
| SCHEMBL30518181 | 0.80 | DDAH1 (0.55) | DDAH1GAAALDH1A1 | |
| SCHEMBL4919548 | 0.80 | DDAH1 (0.55) | DDAH1GAAALDH1A1 |
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-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |