Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 11/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL20202877 | 1.00 | GRIN2B (0.53) | GRIN2BKCNH2CYP2D6STSHCRTR1 | |
| SCHEMBL20202875 | 1.00 | GRIN2B (0.53) | GRIN2BKCNH2CYP2D6STSHCRTR1 | |
| SCHEMBL20189831 | 0.90 | GRIN2B (0.55) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20203026 | 0.90 | GRIN2B (0.59) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189629 | 0.90 | GRIN2B (0.59) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20203025 | 0.90 | GRIN2B (0.59) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189832 | 0.90 | GRIN2B (0.55) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189711 | 0.90 | GRIN2B (0.55) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL18280930 | 0.88 | GRIN2B (0.67) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189754 | 0.88 | GRIN2B (0.67) | 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 |