Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 3/20 | 0.49 |
| ▸ | BRD2 | P25440 | 2/20 | 0.49 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.49 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CCR1 | P32246 | 3/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15998983 | 0.85 | RECQL (0.54) | ALDH1A1RECQLPTGER4KDM4E | |
| SCHEMBL15687379 | 0.85 | RECQL (0.48) | ALDH1A1RECQLCCR1PKM | |
| SCHEMBL12499414 | 0.84 | RECQL (0.53) | ALDH1A1RECQLPTGER4KDM4EPKM | |
| SCHEMBL29279366 | 0.83 | ALDH1A1 (0.45) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL15997842 | 0.81 | RECQL (0.49) | BRD4ALDH1A1RECQLPTGER4KDM4E | |
| SCHEMBL25966967 | 0.78 | ALDH1A1 (0.49) | ALDH1A1RECQLPTGER4GAAKDM4E | |
| SCHEMBL20423777 | 0.77 | RECQL (0.48) | BRD4ALDH1A1RECQLGAACYP2C9 | |
| SCHEMBL29279387 | 0.76 | MAPK14 (0.40) | BRD4BRD2BRD3BRDTALDH1A1 | |
| SCHEMBL3116842 | 0.75 | CHRM1 (0.52) | ALDH1A1PTGER4PKM | |
| SCHEMBL15999090 | 0.74 | USP2 (0.46) | ALDH1A1RECQLKDM4EPKM |
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-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 |