Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 13/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 9/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PARP6 | Q2NL67 | 5/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 4/20 | 0.36 |
| ▸ | TNKS | O95271 | 3/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25323925 | 0.85 | PARP1 (0.52) | BACE1PARP1PARP2HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL25320690 | 0.84 | PARP1 (0.51) | BACE1PARP1PARP2HDAC3HDAC1 | |
| SCHEMBL31514765 | 0.82 | PARP1 (0.43) | BACE1PARP1PARP2HDAC3HDAC1 | |
| SCHEMBL22912765 | 0.81 | PARP1 (0.51) | BACE1PARP1PARP2PARP6PARP3 | |
| SCHEMBL31465737 | 0.81 | PARP1 (0.45) | BACE1PARP1PARP2PARP6PARP3 | |
| Hydrochloric Acid SCHEMBL25235124 | 0.80 | PARP1 (0.50) | BACE1PARP1PARP2PARP6PARP3 | |
| Hydrochloric Acid SCHEMBL30413981 | 0.80 | PARP1 (0.50) | BACE1PARP1PARP2PARP6PARP3 | |
| Hydrochloric Acid SCHEMBL29394088 | 0.80 | PARP1 (0.50) | BACE1PARP1PARP2PARP6PARP3 | |
| SCHEMBL24156582 | 0.78 | PARP1 (0.44) | BACE1PARP1PARP2PARP6PARP3 | |
| SCHEMBL30218632 | 0.78 | PARP1 (0.44) | BACE1PARP1PARP2PARP6PARP3 |
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-119431314-A | Substituted nitrogen-containing bicyclic compounds and uses thereof | 广东东阳光药业股份有限公司 | 2025-02-14 | — | — | CN | disclosed |