Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2548631 | 0.97 | TSHR (0.48) | TSHRLMNATYRKIF11ALDH1A1 | |
| Hydrochloric Acid SCHEMBL29591258 | 0.95 | TSHR (0.46) | TSHRLMNATYRKIF11ALDH1A1 | |
| SCHEMBL17239669 | 0.89 | TSHR (0.41) | TSHRLMNATYRKIF11ALDH1A1 | |
| SCHEMBL2557952 | 0.84 | — | — | |
| SCHEMBL14811633 | 0.81 | ALDH1A1 (0.39) | TSHRKIF11ALDH1A1 | |
| SCHEMBL2551861 | 0.78 | ALDH1A1 (0.40) | TSHRKIF11ALDH1A1 | |
| SCHEMBL30093072 | 0.76 | KIF11 (0.32) | KIF11 | |
| SCHEMBL1093877 | 0.76 | TSHR (0.52) | TSHRLMNATYRKIF11ALDH1A1 | |
| SCHEMBL29670308 | 0.75 | ACHE (0.38) | ALDH1A1NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL29670257 | 0.75 | GABRA1 (0.44) | ALDH1A1HPGDMAPTPOLBALOX15 |
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-2022114117-A1 | PALLADIUM COMPLEX, COUPLING REACTION CATAYLST, AND METHOD FOR PRODUCING AROMATIC COMPOUND | エヌ・イーケムキャット株式会社 | 2022-06-02 | — | — | WO | disclosed |