Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL31651844 | 0.89 | KDM4E (0.52) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL32676882 | 0.89 | KDM4E (0.52) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1869613 | 0.89 | KDM4E (0.52) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL32676935 | 0.89 | KDM4E (0.52) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16271252 | 0.89 | KDM4E (0.52) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL28486645 | 0.88 | KDM4E (0.51) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL29570147 | 0.88 | KDM4E (0.51) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1202708 | 0.84 | KDM4E (0.50) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3195544 | 0.83 | KDM4E (0.49) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1202549 | 0.83 | MTNR1A (0.49) | KDM4EHSD17B10CYP1A2CYP2D6CYP2C9 |
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-107257789-B | Novel N-acyl-arylsulfonamide derivatives as aminoacyl-TRNA synthetase inhibitors | 牛津药物设计有限公司 | 2021-06-29 | — | — | CN | disclosed |