Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | F9 | P00740 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | MGAM | O43451 | 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 | |
|---|---|---|---|---|
| SCHEMBL29530222 | 1.00 | ALDH1A1 (0.42) | ALDH1A1GAAF9PLAULMNA | |
| SCHEMBL27235800 | 1.00 | ALDH1A1 (0.42) | ALDH1A1GAAF9PLAULMNA | |
| SCHEMBL25329418 | 0.84 | TSHR (0.49) | ALDH1A1GAALMNASMN1; SMN2ATM | |
| SCHEMBL25329420 | 0.84 | TSHR (0.49) | ALDH1A1GAALMNASMN1; SMN2ATM | |
| SCHEMBL13180021 | 0.83 | ALDH1A1 (0.43) | ALDH1A1GAAF9PLAULMNA | |
| SCHEMBL23849503 | 0.82 | HPGD (0.45) | ALDH1A1GAAF9PLAULMNA | |
| SCHEMBL23849502 | 0.82 | HPGD (0.45) | ALDH1A1GAAF9PLAULMNA | |
| SCHEMBL22281011 | 0.82 | F9 (0.39) | ALDH1A1GAAF9PLAULMNA | |
| SCHEMBL30685338 | 0.82 | F9 (0.39) | ALDH1A1GAAF9PLAULMNA | |
| SCHEMBL29512451 | 0.82 | HPGD (0.45) | ALDH1A1GAAF9PLAULMNA |
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-116940354-A | Fused heteroaryl compounds and their use as CaMKII inhibitors | 卡都瑞恩医药股份有限公司 | 2023-10-24 | — | — | CN | disclosed |