Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 5/20 | 0.41 |
| ▸ | PI4KA | P42356 | 2/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22830483 | 1.00 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL29804946 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL19778900 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL29367441 | 0.74 | PI4KA (0.50) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL3974202 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL7108989 | 0.74 | PI4KA (0.50) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL2493987 | 0.74 | BRD4 (0.51) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL323982 | 0.74 | ALDH1A1 (0.52) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL1165562 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL2009562 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A |
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-111433205-B | Polycyclic compounds as allosteric SHP2 inhibitors | 锐新医药公司 | 2024-01-19 | — | — | CN | disclosed |