Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.47 |
| ▸ | HPGDS | O60760 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL18015574 | 0.90 | LDHA (0.52) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL19933578 | 0.90 | LDHA (0.52) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL19794431 | 0.88 | LDHA (0.50) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL18015495 | 0.88 | LDHA (0.50) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL19794370 | 0.88 | LDHA (0.50) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL21721920 | 0.88 | LDHA (0.50) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL21125931 | 0.86 | HSD17B1 (0.56) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL19933728 | 0.85 | LDHA (0.47) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL19933741 | 0.84 | MAP4K4 (0.49) | LDHAHPGDSHSD17B1HSD17B2BAZ2B | |
| SCHEMBL23956290 | 0.83 | HSD17B1 (0.57) | LDHAHPGDSHSD17B1HSD17B2BAZ2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3507294-B1 | BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-02-24 | — | — | EP | disclosed |
| WO-2018041769-A1 | BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2018-03-08 | — | — | WO | disclosed |