Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 13/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.39 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20203025 | 1.00 | GRIN2B (0.59) | GRIN2BKCNH2CYP2D6PIK3CDBCDIN3D | |
| SCHEMBL20203026 | 1.00 | GRIN2B (0.59) | GRIN2BKCNH2CYP2D6PIK3CDBCDIN3D | |
| SCHEMBL20189711 | 0.92 | GRIN2B (0.55) | GRIN2BKCNH2CYP2D6BCDIN3DGPR119 | |
| SCHEMBL20189831 | 0.92 | GRIN2B (0.55) | GRIN2BKCNH2CYP2D6BCDIN3DGPR119 | |
| SCHEMBL20189832 | 0.92 | GRIN2B (0.55) | GRIN2BKCNH2CYP2D6BCDIN3DGPR119 | |
| SCHEMBL20202875 | 0.90 | GRIN2B (0.53) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20202877 | 0.90 | GRIN2B (0.53) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189846 | 0.90 | GRIN2B (0.53) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL18280930 | 0.90 | GRIN2B (0.67) | GRIN2BKCNH2CYP2D6GPR119 | |
| SCHEMBL20189754 | 0.90 | GRIN2B (0.67) | GRIN2BKCNH2CYP2D6GPR119 |
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 2 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 |