Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.42 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.42 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.42 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.42 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.42 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | PDE6D | O43924 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28633973 | 0.89 | CA1 (0.46) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL28923946 | 0.89 | ALDH1A1 (0.46) | MAPK1NPC1RAB9AMAPTPDK2 | |
| SCHEMBL28634158 | 0.89 | ALDH1A1 (0.41) | MAPK1NPC1RAB9AMAPTHTT | |
| SCHEMBL22218102 | 0.88 | MAPK1 (0.44) | MAPK1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL28630192 | 0.88 | LTB4R2 (0.43) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL28647144 | 0.87 | CA1 (0.46) | MAPK1NPC1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL28637466 | 0.87 | PTGES (0.43) | KMT2AMEN1RAB9AMAPTLTB4R2 | |
| SCHEMBL20236729 | 0.87 | ALDH1A1 (0.51) | MAPK1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL20236478 | 0.87 | MAPK1 (0.43) | MAPK1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL20236232 | 0.87 | KDM4E (0.46) | MAPK1KMT2AMEN1MAPTPSEN1 |
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-108137518-B | 1,3, 4-oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 株式会社钟根堂 | 2021-08-31 | — | — | CN | disclosed |