Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PLG | P00747 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | PLAT | P00750 | 1/20 | 0.32 |
| ▸ | KLK1 | P06870 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29129336 | 0.92 | ALDH1A1 (0.45) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL29129364 | 0.85 | PIK3CG (0.37) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL29987615 | 0.85 | PRKAB2 (0.36) | PIK3CGCHRM4 | |
| SCHEMBL26684216 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL29129299 | 0.77 | LCK (0.40) | PIK3CGGAA | |
| SCHEMBL29129275 | 0.76 | NPSR1 (0.39) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7452584 | 0.74 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL7452589 | 0.74 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL7457562 | 0.74 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL20817464 | 0.73 | NPC1 (0.39) | ALDH1A1PIK3CGCYP1A2F2PLG |
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-117279896-A | Amino substituted pyrido ring compounds, preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-12-22 | — | — | CN | disclosed |