Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 11/20 | 0.54 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL20202902 | 1.00 | GRIN2B (0.54) | GRIN2BGPR119KCNH2CYP2D6CHEK1 | |
| SCHEMBL20202904 | 1.00 | GRIN2B (0.54) | GRIN2BGPR119KCNH2CYP2D6CHEK1 | |
| SCHEMBL20189668 | 0.88 | GRIN2B (0.69) | GRIN2BGPR119KCNH2CYP2D6 | |
| SCHEMBL18280927 | 0.88 | GRIN2B (0.69) | GRIN2BGPR119KCNH2CYP2D6 | |
| SCHEMBL18280925 | 0.88 | GRIN2B (0.69) | GRIN2BGPR119KCNH2CYP2D6 | |
| SCHEMBL20189987 | 0.84 | GRIN2B (0.51) | GRIN2BGPR119KCNH2CYP2D6 | |
| SCHEMBL20189988 | 0.84 | GRIN2B (0.51) | GRIN2BGPR119KCNH2CYP2D6 | |
| SCHEMBL20190212 | 0.84 | GRIN2B (0.51) | GRIN2BGPR119KCNH2CYP2D6 | |
| SCHEMBL18280970 | 0.84 | GRIN2B (0.69) | GRIN2BGPR119KCNH2CYP2D6 | |
| SCHEMBL20189375 | 0.84 | GRIN2B (0.69) | GRIN2BGPR119KCNH2CYP2D6 |
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 |