Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 7/20 | 0.41 |
| ▸ | MAOA | P21397 | 6/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28414943 | 0.75 | KDM4E (0.60) | MAOBMAOASIGMAR1KDM4E | |
| SCHEMBL27203827 | 0.72 | MAOB (0.38) | KCNA3MAOBMAOAKDM4E | |
| SCHEMBL28598875 | 0.72 | MAOB (0.38) | KCNA3MAOBMAOAKDM4E | |
| SCHEMBL31107497 | 0.72 | MAOB (0.38) | KCNA3MAOBMAOAKDM4E | |
| SCHEMBL30717898 | 0.70 | ABCB1 (0.46) | KCNA3MAOBMAOAAPP | |
| SCHEMBL9456036 | 0.69 | KDM4E (0.59) | MAOBMAOASIGMAR1KDM4E | |
| SCHEMBL5706807 | 0.68 | NPC1 (0.35) | MAOB | |
| SCHEMBL38656612 | 0.67 | MAOB (0.40) | KCNA3MAOBMAOAKDM4E | |
| SCHEMBL20683667 | 0.66 | NPC1 (0.34) | — | |
| SCHEMBL31354750 | 0.65 | MAOB (0.38) | KCNA3MAOBMAOAKDM4E |
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-109251201-B | anti-HBV nitrogen-containing heterocyclic compound | 深圳市第二人民医院 | 2020-06-02 | — | — | CN | claimed |
| CN-109251201-B | anti-HBV nitrogen-containing heterocyclic compound | 深圳市第二人民医院 | 2020-06-02 | — | — | CN | disclosed |