Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 17/20 | 0.86 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL20202786 | 1.00 | GRIN2B (0.86) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL21404307 | 1.00 | GRIN2B (0.86) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20190803 | 0.97 | GRIN2B (0.82) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20190802 | 0.97 | GRIN2B (0.82) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL18280950 | 0.93 | GRIN2B (1.00) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20190220 | 0.93 | GRIN2B (1.00) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL18280951 | 0.93 | GRIN2B (1.00) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189499 | 0.91 | GRIN2B (0.84) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL21404297 | 0.91 | GRIN2B (0.84) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20202990 | 0.91 | GRIN2B (0.84) | GRIN2BKCNH2CYP2D6 |
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 |