Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 5/20 | 0.32 |
| ▸ | MAOA | P21397 | 4/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL123293 | 0.79 | MAOB (0.33) | HDAC9MAOBMAOA | |
| SCHEMBL28450776 | 0.78 | CHRNB2 (0.36) | HDAC9MAOBMAOAKDM4EGAA | |
| SCHEMBL30559625 | 0.77 | MEN1 (0.36) | HDAC4LMNAMAPTMEN1KMT2A | |
| SCHEMBL29044791 | 0.77 | MEN1 (0.36) | HDAC4LMNAMAPTMEN1KMT2A | |
| SCHEMBL27897540 | 0.76 | HDAC1 (0.41) | HDAC9HDAC4MAOBMAOAALDH1A1 | |
| SCHEMBL17866314 | 0.76 | HDAC9 (0.36) | HDAC9HDAC4HSD11B1MEN1KMT2A | |
| SCHEMBL28479583 | 0.69 | RAB9A (0.38) | HDAC9MAOA | |
| SCHEMBL4942855 | 0.67 | OPRL1 (0.35) | — | |
| SCHEMBL29025928 | 0.67 | — | — | |
| SCHEMBL4089733 | 0.67 | HDAC4 (0.36) | HDAC9HDAC4MAOBMAOAAKR1C1 |
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-106117203-B | A kind of synthetic method of 3 arylthio Imidazoheterocyclic compounds | 安徽理工大学 | 2017-11-07 | — | — | CN | disclosed |
| CN-106117203-A | A kind of synthetic method of 3 arylthio Imidazoheterocyclic compounds | 安徽理工大学 | 2016-11-16 | — | — | CN | disclosed |