Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 4/20 | 0.56 |
| ▸ | BCKDK | O14874 | 2/20 | 0.56 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | BCL2 | P10415 | 2/20 | 0.40 |
| ▸ | BAD | Q92934 | 2/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | RPA1 | P27694 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25237120 | 1.00 | MCL1 (0.56) | MCL1BCKDKRXFP1KMOBCL2L1 | |
| SCHEMBL25253110 | 0.90 | BCKDK (0.60) | MCL1BCKDKRXFP1KMOBCL2L1 | |
| SCHEMBL31015933 | 0.83 | MAPT (0.43) | MCL1BCKDKRXFP1NPC1RAB9A | |
| SCHEMBL25209640 | 0.83 | MAPT (0.43) | MCL1BCKDKRXFP1NPC1RAB9A | |
| SCHEMBL25575334 | 0.82 | MCL1 (0.56) | MCL1BCKDKRXFP1KMOBCL2L1 | |
| Ammonia Solution, Strong SCHEMBL25243752 | 0.81 | MCL1 (0.55) | MCL1BCKDKRXFP1KMOBCL2L1 | |
| SCHEMBL25202699 | 0.81 | MCL1 (0.65) | MCL1BCKDKRXFP1BCL2L1BCL2 | |
| SCHEMBL25217793 | 0.81 | MCL1 (0.57) | MCL1BCKDKRXFP1KMOBCL2L1 | |
| SCHEMBL25206026 | 0.80 | MCL1 (0.60) | MCL1BCKDKRXFP1BCL2L1BCL2 | |
| SCHEMBL25242010 | 0.79 | MCL1 (0.58) | MCL1BCKDKRXFP1KMOBCL2L1 |
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 |