Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.45 |
| ▸ | P2RX2 | Q9UBL9 | 3/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 6/20 | 0.43 |
| ▸ | BRD2 | P25440 | 2/20 | 0.43 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.43 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29279380 | 0.86 | SMN1; SMN2 (0.44) | ALDH1A1P2RX3P2RX2GAARECQL | |
| SCHEMBL30729366 | 0.83 | BRD4 (0.49) | ALDH1A1MAPK14EGFRERBB2MALT1 | |
| SCHEMBL29279387 | 0.79 | MAPK14 (0.40) | ALDH1A1P2RX3P2RX2MAPK14EGFR | |
| SCHEMBL29279367 | 0.76 | RECQL (0.44) | ALDH1A1P2RX3P2RX2BRD4RECQL | |
| SCHEMBL29279390 | 0.75 | RECQL (0.47) | ALDH1A1P2RX3P2RX2EGFRERBB2 | |
| SCHEMBL30729352 | 0.73 | RECQL (0.42) | ALDH1A1P2RX3P2RX2BRD4RECQL | |
| SCHEMBL18164294 | 0.72 | RECQL (0.43) | ALDH1A1RECQLHSD17B10CYP2C9PKM | |
| SCHEMBL15687379 | 0.71 | RECQL (0.48) | ALDH1A1RECQLTP53PKM | |
| SCHEMBL15998983 | 0.71 | RECQL (0.54) | ALDH1A1RECQLHSD17B10 | |
| SCHEMBL29279372 | 0.70 | SLC22A12 (0.45) | GAAHSD17B10PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114014842-B | Heterocyclic ketone compound and composition thereof, and preparation method and application thereof | 中国药科大学 | 2024-03-01 | — | — | CN | disclosed |
| CN-114014842-A | Heterocyclic ketone compound and composition thereof as well as preparation method and application thereof | 中国药科大学 | 2022-02-08 | — | — | CN | disclosed |