Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NNMT | P40261 | 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 | |
|---|---|---|---|---|
| SCHEMBL29078400 | 0.81 | GRIA1 (0.39) | GRIA1GRIA2GRIA3GRIA4PDE4B | |
| SCHEMBL22601495 | 0.79 | GRIA1 (0.38) | GRIA1GRIA2GRIA3GRIA4PDE4B | |
| SCHEMBL22083528 | 0.65 | IKBKE (0.41) | GRIA1GRIA2GRIA3GRIA4TDP1 | |
| SCHEMBL24500533 | 0.65 | PDPK1 (0.35) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL11312956 | 0.65 | — | — | |
| SCHEMBL6216063 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL29520478 | 0.64 | — | — | |
| SCHEMBL21084219 | 0.63 | SLC22A12 (0.58) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL22601406 | 0.63 | PDPK1 (0.34) | CHEK1AURKADAPK3CSNK1A1GSK3A | |
| SCHEMBL6049124 | 0.62 | TSHR (0.39) | — |
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-2020216327-A1 | DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE | SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) | 2020-10-29 | — | — | WO | disclosed |