Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCKDK | O14874 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25211925 | 1.00 | BCKDK (0.49) | BCKDKIKBKBRAB9ALMNAMAPK1 | |
| SCHEMBL4654000 | 0.84 | BCKDK (0.50) | BCKDKIKBKBRAB9ALMNAMAPK1 | |
| SCHEMBL2955131 | 0.82 | ALDH1A1 (0.64) | BCKDKIKBKBMAPK1KDM4EHPGD | |
| SCHEMBL693146 | 0.82 | BCKDK (0.68) | BCKDKRAB9ALMNAMAPK1KDM4E | |
| SCHEMBL25208220 | 0.82 | BCKDK (0.49) | BCKDKIKBKBRAB9ALMNAMAPK1 | |
| SCHEMBL31015992 | 0.82 | BCKDK (0.49) | BCKDKIKBKBRAB9ALMNAMAPK1 | |
| SCHEMBL31015960 | 0.82 | RXFP1 (0.51) | BCKDKRAB9ALMNAMAPK1KDM4E | |
| SCHEMBL25212927 | 0.82 | RXFP1 (0.51) | BCKDKRAB9ALMNAMAPK1KDM4E | |
| SCHEMBL31305767 | 0.78 | LMNA (0.69) | IKBKBLMNAMAPK1KDM4EHPGD | |
| SCHEMBL31305775 | 0.78 | LMNA (0.69) | IKBKBLMNAMAPK1KDM4EHPGD |
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 |