Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL25230246 | 1.00 | ALDH1A1 (0.46) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL3685054 | 0.87 | ALDH1A1 (0.48) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25232875 | 0.85 | ALDH1A1 (0.58) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25205313 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL31015910 | 0.79 | MCL1 (0.48) | ALDH1A1KDM4EL3MBTL1MAPK1GAA | |
| SCHEMBL25229359 | 0.79 | MCL1 (0.48) | ALDH1A1KDM4EL3MBTL1MAPK1GAA | |
| SCHEMBL31015917 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25204538 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL31015927 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL16284422 | 0.73 | GPR84 (0.34) | — |
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-118451066-A | 3-Phenyl-1-benzothiophene-2-carboxylic acid derivatives as inhibitors of branched alpha ketoacid dehydrogenase kinase for the treatment of diabetes, kidney disease, NASH and heart failure | 辉瑞大药厂 | 2024-08-06 | — | — | CN | disclosed |