Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21834336 | 0.81 | GRIN1 (0.33) | MAOBMAOAGRIN1GRIN2B | |
| SCHEMBL21834244 | 0.81 | PDE2A (0.42) | CYP2D6MAOBMAOAKCNH2PDE2A | |
| SCHEMBL21834330 | 0.79 | MAOB (0.40) | CYP2D6MAOBMAOAKCNH2CACNA1B | |
| SCHEMBL21834239 | 0.76 | MAOB (0.39) | CYP2D6MAOBMAOAKCNH2CACNA1B | |
| SCHEMBL28613086 | 0.74 | KCNH2 (0.39) | CYP2D6MAOBKCNH2CACNA1B | |
| SCHEMBL21834396 | 0.73 | BRD4 (0.39) | GRIN1GRIN2B | |
| SCHEMBL23243863 | 0.72 | GPR88 (0.46) | CYP2D6MAOBKCNH2CACNA1B | |
| SCHEMBL23668174 | 0.72 | MTNR1A (0.42) | MAOBMAOAPDE2AGRIN1GRIN2B | |
| SCHEMBL21834332 | 0.71 | GRIN1 (0.44) | GRIN1GRIN2B | |
| SCHEMBL15004555 | 0.69 | DRD2 (0.54) | CYP2D6MAOBKCNH2CACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-113272285-A | Oxadiazole-containing compound and pharmaceutical composition containing the same | 爱思开生物制药株式会社 | 2021-08-17 | — | — | CN | disclosed |
| WO-2020060299-A1 | COMPOUND CONTAINING OXADIAZOLE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 에스케이바이오팜 주식회사 | 2020-03-26 | — | — | WO | disclosed |