Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MELK | Q14680 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27242945 | 1.00 | LRRK2 (0.57) | LRRK2GAANPSR1RXFP1MAPK1 | |
| SCHEMBL29725540 | 0.88 | LRRK2 (0.46) | LRRK2GAANPSR1RXFP1MAPK1 | |
| SCHEMBL27242948 | 0.88 | LRRK2 (0.46) | LRRK2GAANPSR1RXFP1MAPK1 | |
| SCHEMBL22963991 | 0.86 | LRRK2 (0.62) | LRRK2MELK | |
| SCHEMBL31013172 | 0.86 | LRRK2 (0.62) | LRRK2MELK | |
| Hydrochloric Acid SCHEMBL27242947 | 0.85 | LRRK2 (0.61) | LRRK2MELK | |
| SCHEMBL27242913 | 0.85 | LRRK2 (0.70) | LRRK2MELK | |
| SCHEMBL22964134 | 0.83 | DYRK1A (0.51) | MELK | |
| SCHEMBL31013179 | 0.83 | DYRK1A (0.51) | MELK | |
| SCHEMBL29725602 | 0.83 | DYRK1A (0.51) | MELK |
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-114174279-B | Bicyclic heterocyclic compounds useful as IRAK4 inhibitors | 百时美施贵宝公司 | 2024-07-02 | — | — | CN | disclosed |