Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 14/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25093041 | 0.87 | PRKAA2 (0.53) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| Hydrochloric Acid SCHEMBL29020773 | 0.86 | PRKAA2 (0.53) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| SCHEMBL29085161 | 0.84 | PRKAA2 (0.51) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| Hydrochloric Acid SCHEMBL29020742 | 0.84 | PRKAA2 (0.51) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| SCHEMBL30064386 | 0.81 | HDAC2 (0.49) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| SCHEMBL29085164 | 0.81 | HDAC2 (0.49) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| SCHEMBL29085246 | 0.81 | HDAC2 (0.49) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| SCHEMBL29085264 | 0.81 | HDAC2 (0.47) | PARP1HDAC2HDAC3KCNH2PRKAA2 | |
| SCHEMBL29085203 | 0.81 | SCN9A (0.43) | PARP1KCNH2PLAT | |
| SCHEMBL29085207 | 0.81 | SCN9A (0.43) | PARP1KCNH2PLAT |
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-116867783-A | Pyridine derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2023-10-10 | — | — | CN | disclosed |