Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL3398486 | 0.86 | SCN9A (0.53) | MAP4K4TSHRGLAPOLBGAA | |
| SCHEMBL29463898 | 0.85 | TSHR (0.47) | MAP4K4TSHRGLAPOLBGAA | |
| SCHEMBL5320232 | 0.85 | TSHR (0.47) | MAP4K4TSHRGLAPOLBGAA | |
| SCHEMBL3785346 | 0.84 | MAP4K4 (0.46) | MAP4K4TSHRGLAPOLBGAA | |
| SCHEMBL3783934 | 0.84 | MAP4K4 (0.46) | MAP4K4TSHRGLAPOLBGAA | |
| SCHEMBL28676641 | 0.82 | KIF11 (0.44) | TSHRGLAPOLBGAAMAPK1 | |
| SCHEMBL2597833 | 0.80 | HSD11B1 (0.51) | HSD11B1SCN9AAR | |
| SCHEMBL30648132 | 0.79 | TSHR (0.44) | MAP4K4TSHRGLAPOLBGAA | |
| SCHEMBL28548702 | 0.79 | TSHR (0.53) | MAP4K4TSHRGLAPOLBGAA | |
| SCHEMBL28912663 | 0.79 | TSHR (0.53) | MAP4K4TSHRGLAPOLBGAA |
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-113943290-A | Polycyclic aromatic compound and application thereof in electroluminescent device | 清华大学 | 2022-01-18 | — | — | CN | disclosed |