Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 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 | |
|---|---|---|---|---|
| SCHEMBL21834330 | 0.75 | MAOB (0.40) | KCNH2CACNA1BCYP2D6MAOB | |
| SCHEMBL21834345 | 0.74 | CYP2D6 (0.39) | KCNH2CACNA1BCYP2D6MAOB | |
| SCHEMBL23243863 | 0.70 | GPR88 (0.46) | KCNH2CACNA1BCYP2D6MAOBKDM4E | |
| SCHEMBL23589505 | 0.69 | CTSA (0.40) | KCNH2CACNA1BMAOB | |
| SCHEMBL23243896 | 0.69 | CTSA (0.40) | KCNH2CACNA1BMAOBKDM4EALDH1A1 | |
| SCHEMBL21834239 | 0.66 | MAOB (0.39) | KCNH2CACNA1BCYP2D6MAOB | |
| SCHEMBL21834297 | 0.65 | MAOB (0.39) | KCNH2CACNA1BCYP2D6MAOBSMN1; SMN2 | |
| SCHEMBL21834242 | 0.65 | MAOB (0.39) | KCNH2CACNA1BCYP2D6MAOBSMN1; SMN2 | |
| SCHEMBL21834303 | 0.65 | MAOB (0.37) | KCNH2CACNA1BCYP2D6MAOBKDM4E | |
| SCHEMBL21834233 | 0.65 | CTSA (0.37) | KCNH2CACNA1BCYP2D6MAOBKDM4E |
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 1 patent. 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 |