Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | PAK2 | Q13177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.31 |
| ▸ | CLK2 | P49760 | 1/20 | 0.30 |
| ▸ | CLK3 | P49761 | 1/20 | 0.30 |
| ▸ | DYRK1A | Q13627 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20189406 | 1.00 | GRIN2B (0.45) | GRIN2BJAK2JAK1DDB1CRBN | |
| Trifluoroacetic Acid SCHEMBL20188684 | 0.89 | GRIN2B (0.46) | GRIN2BDDB1CRBNPAK1CYP2D6 | |
| SCHEMBL20189541 | 0.85 | GRIN2B (0.41) | GRIN2BJAK2JAK1LRRK2PAK1 | |
| SCHEMBL20189544 | 0.85 | GRIN2B (0.41) | GRIN2BJAK2JAK1LRRK2PAK1 | |
| SCHEMBL20202870 | 0.82 | GRIN2B (0.38) | GRIN2BJAK2JAK1LRRK2PAK1 | |
| SCHEMBL20202900 | 0.82 | GRIN2B (0.45) | GRIN2BLRRK2MAP4K1CYP2D6KCNH2 | |
| SCHEMBL20202906 | 0.82 | CHEK1 (0.53) | CHEK1CHEK2KCNH2CLK2 | |
| SCHEMBL20189880 | 0.82 | PAK1 (0.38) | GRIN2BJAK2JAK1PAK1 | |
| SCHEMBL20202905 | 0.82 | CHEK1 (0.53) | CHEK1CHEK2KCNH2CLK2 | |
| SCHEMBL20189883 | 0.82 | PAK1 (0.38) | GRIN2BJAK2JAK1PAK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3544610-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | Rugen Holdings (Cayman) Limited (KY) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098128-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2018-05-31 | — | — | WO | disclosed |
| WO-2018098128-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2018-05-31 | — | — | WO | disclosed |