Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KCNMA1 | Q12791 | 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 | |
|---|---|---|---|---|
| SCHEMBL22716655 | 1.00 | MAPK1 (0.53) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL30936593 | 0.89 | MAPK1 (0.53) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL2257023 | 0.89 | MAPK1 (0.53) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL30673839 | 0.85 | MAPK1 (0.59) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL11901520 | 0.85 | MAPK1 (0.59) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL11901944 | 0.85 | MAPK1 (0.50) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL22725412 | 0.85 | MAPK1 (0.50) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL22725464 | 0.85 | MAPK1 (0.50) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL718625 | 0.84 | MAPK1 (0.65) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 | |
| SCHEMBL30814542 | 0.82 | MAPK1 (0.44) | MAPK1ALDH1A1TDP1CASP7L3MBTL1 |
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-113924296-B | 1,3, 4-Oxadiazole derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社 钟根堂 | 2024-09-17 | — | — | CN | disclosed |