Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | CDC25C | P30307 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28720668 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL29558137 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL29557846 | 0.81 | ILK (0.53) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL28717580 | 0.81 | ILK (0.53) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL15395338 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL15910674 | 0.77 | MAPT (0.53) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL15395623 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MAPTSMN1; SMN2NPSR1SYK | |
| SCHEMBL18283767 | 0.75 | SYK (0.53) | ALDH1A1MAPTSMN1; SMN2NPSR1GAA | |
| SCHEMBL15395622 | 0.75 | MAPT (0.44) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL15395508 | 0.74 | ALDH1A1 (0.43) | ALDH1A1MAPTSMN1; SMN2NPSR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022135430-A1 | HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-06-30 | — | — | WO | disclosed |