Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 3/20 | 0.37 |
| ▸ | KDM2B | Q8NHM5 | 4/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 4/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 4/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 4/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 4/20 | 0.34 |
| ▸ | PPARA | Q07869 | 2/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2016667 | 0.88 | LMNA (0.38) | KDM2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL28527343 | 0.84 | GRIN2D (0.38) | FFAR1FFAR4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL5775631 | 0.75 | GRIN2D (0.39) | PPARDFFAR1FFAR4GRIN2DGRIN3B | |
| SCHEMBL5779558 | 0.73 | FFAR1 (0.35) | PPARDKDM2BFFAR1FFAR4GRIN2D | |
| SCHEMBL5777080 | 0.72 | FFAR1 (0.35) | PPARDFFAR1FFAR4GRIN2DGRIN3B | |
| SCHEMBL2016038 | 0.70 | GRIN2D (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2018033 | 0.69 | S1PR1 (0.51) | — | |
| SCHEMBL5776905 | 0.69 | PTGDR (0.42) | FFAR1FFAR4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL5778024 | 0.68 | GRIN2D (0.41) | FFAR1FFAR4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL5776746 | 0.68 | GRIN2D (0.41) | FFAR1FFAR4GRIN2DGRIN3BGRIN1 |
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-105816453-B | Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders | 艾尼纳制药公司 | 2021-03-05 | — | — | CN | disclosed |