Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 14/20 | 0.54 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20202897 | 1.00 | GRIN2B (0.54) | GRIN2BGPR119CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL20202896 | 1.00 | GRIN2B (0.54) | GRIN2BGPR119CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL20203119 | 0.87 | GRIN2B (0.55) | GRIN2BGPR119CYP2D6KCNH2 | |
| SCHEMBL20189785 | 0.87 | GRIN2B (0.55) | GRIN2BGPR119CYP2D6KCNH2 | |
| SCHEMBL20203120 | 0.87 | GRIN2B (0.55) | GRIN2BGPR119CYP2D6KCNH2 | |
| SCHEMBL20203113 | 0.86 | GRIN2B (0.51) | GRIN2BGPR119CYP2D6CYP2C9KCNH2 | |
| SCHEMBL20203114 | 0.86 | GRIN2B (0.51) | GRIN2BGPR119CYP2D6CYP2C9KCNH2 | |
| SCHEMBL20189698 | 0.86 | GRIN2B (0.51) | GRIN2BGPR119CYP2D6CYP2C9KCNH2 | |
| SCHEMBL20203122 | 0.85 | GRIN2B (0.61) | GRIN2BGPR119CYP2D6KCNH2 | |
| SCHEMBL20203123 | 0.85 | GRIN2B (0.61) | GRIN2BGPR119CYP2D6KCNH2 |
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 |