Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCKDK | O14874 | 2/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TLR3 | O15455 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RPA1 | P27694 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25203522 | 1.00 | BCKDK (0.56) | BCKDKMCL1RXFP1ESR1RAB9A | |
| SCHEMBL25208256 | 0.89 | BCKDK (0.56) | BCKDKMCL1RXFP1ESR1RAB9A | |
| SCHEMBL25230271 | 0.88 | BCKDK (0.56) | BCKDKMCL1RXFP1ESR1RAB9A | |
| SCHEMBL25231023 | 0.88 | BCKDK (0.52) | BCKDKMCL1RXFP1ESR1RAB9A | |
| SCHEMBL25255060 | 0.88 | MCL1 (0.57) | BCKDKMCL1RXFP1RAB9ALMNA | |
| SCHEMBL25208179 | 0.87 | BCKDK (0.60) | BCKDKMCL1RXFP1ESR1RAB9A | |
| SCHEMBL25207408 | 0.86 | BCKDK (0.50) | BCKDKMCL1RXFP1ESR1RAB9A | |
| SCHEMBL25235446 | 0.86 | BCKDK (0.50) | BCKDKMCL1RXFP1ESR1RAB9A | |
| SCHEMBL25225082 | 0.86 | BCKDK (0.43) | BCKDKMCL1ESR1RAB9ALMNA | |
| SCHEMBL31015991 | 0.86 | BCKDK (0.43) | BCKDKMCL1ESR1RAB9ALMNA |
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 |