Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.62 |
| ▸ | KMO | O15229 | 1/20 | 0.56 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.56 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.56 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.56 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.54 |
| ▸ | STK4 | Q13043 | 1/20 | 0.54 |
| ▸ | STK3 | Q13188 | 1/20 | 0.54 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.53 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.50 |
| ▸ | ATR | Q13535 | 3/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29932837 | 0.88 | JAK2 (0.60) | KDM1AHDAC1KMOPLOD2PLOD3 | |
| SCHEMBL303084 | 0.84 | KMO (0.77) | HDAC1KMOPLOD2PLOD3PLOD1 | |
| Hydrochloric Acid SCHEMBL14742166 | 0.83 | KMO (0.74) | KDM1AHDAC1KMOPLOD2PLOD3 | |
| SCHEMBL3722032 | 0.81 | KMO (0.58) | KMOPLOD2PLOD3PLOD1LRRK2 | |
| SCHEMBL29932887 | 0.80 | KDM1A (0.62) | KDM1AHDAC1KMOLRRK2STK4 | |
| SCHEMBL3622937 | 0.79 | JAK2 (0.80) | HDAC1JAK2CAMK2DMAPK8MAPK10 | |
| SCHEMBL27872408 | 0.76 | KDM4B (0.52) | KDM1AATR | |
| SCHEMBL3554847 | 0.75 | PIK3CA (0.76) | KMOLRRK2STK4STK3ATR | |
| SCHEMBL29889392 | 0.75 | PIK3CA (0.76) | KMOLRRK2STK4STK3ATR | |
| SCHEMBL6880915 | 0.75 | LRRK2 (0.52) | KMOLRRK2STK4STK3ATR |
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-113444038-B | 2-aryl isonicotinic acid amide LSD1/HDAC double-target inhibitor, and preparation method and application thereof | 新乡医学院 | 2022-09-27 | — | — | CN | disclosed |