Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | WNT3A | P56704 | 3/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.31 |
| ▸ | SMO | Q99835 | 2/20 | 0.30 |
| ▸ | HPGDS | O60760 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19933725 | 0.89 | ALDH1A1 (0.44) | ALDH1A1MAPK1TGFBR1WNT3ADYRK1A | |
| SCHEMBL19933688 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPK1TGFBR1WNT3ADYRK1A | |
| SCHEMBL19933666 | 0.82 | TGFBR1 (0.45) | TGFBR1WNT3ADYRK1AHSD17B1HSD17B2 | |
| SCHEMBL19933600 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MAPK1DYRK1AHSD17B1HSD17B2 | |
| SCHEMBL19933718 | 0.79 | TGFBR1 (0.51) | TGFBR1WNT3ADYRK1AHSD17B1HSD17B2 | |
| SCHEMBL19933687 | 0.77 | TGFBR1 (0.48) | TGFBR1HSD17B1HSD17B2SMO | |
| SCHEMBL19933709 | 0.75 | TGFBR1 (0.49) | TGFBR1WNT3AHSD17B1HSD17B2ASIC3 | |
| SCHEMBL25070214 | 0.74 | MAPK1 (0.55) | ALDH1A1MAPK1TGFBR1ASIC3SMO | |
| SCHEMBL19933811 | 0.74 | HSD17B1 (0.53) | ALDH1A1MAPK1DYRK1AHSD17B1HSD17B2 | |
| SCHEMBL18015263 | 0.74 | MAPK1 (0.57) | ALDH1A1MAPK1HSD17B1HSD17B2HPGDS |
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 |
|---|---|---|---|---|---|---|---|
| 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 |