Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25839577 | 0.95 | ALDH1A1 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839656 | 0.92 | ALDH1A1 (0.33) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839652 | 0.91 | ALDH1A1 (0.31) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25171195 | 0.91 | JAK3 (0.33) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839563 | 0.89 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL30309824 | 0.89 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839761 | 0.86 | ALDH1A1 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25118110 | 0.86 | ALDH1A1 (0.35) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25839689 | 0.83 | JAK2 (0.33) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25118111 | 0.83 | ALDH1A1 (0.34) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 |
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-2023078267-A1 | AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR | 赛诺哈勃药业（成都）有限公司 | 2023-05-11 | — | — | WO | disclosed |