Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 6/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.32 |
| ▸ | FAP | Q12884 | 1/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.32 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.32 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.31 |
| ▸ | FEN1 | P39748 | 2/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL12354267 | 0.93 | CHRNB2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL28713011 | 0.81 | CHRNB2 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL18135469 | 0.78 | CHRNB2 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL1528700 | 0.78 | ESR2 (0.38) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL4892167 | 0.76 | APP (0.45) | SLC6A4OPRL1 | |
| SCHEMBL27791793 | 0.75 | PROKR1 (0.33) | CHRNB2CHRNB4CHRNA3CHRNA4DPP4 | |
| SCHEMBL435077 | 0.75 | OPRL1 (0.54) | CHRNB2CHRNB4CHRNA3CHRNA4OPRL1 | |
| SCHEMBL28247579 | 0.75 | KDM1A (0.52) | CHRNB2CHRNB4CHRNA3CHRNA4OPRL1 | |
| SCHEMBL28710482 | 0.74 | CHRNB2 (0.34) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 | |
| SCHEMBL28705118 | 0.74 | ESR1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2 |
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-108699048-A | Oxadiazolamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same | 株式会社钟根堂 | 2018-10-23 | — | — | CN | disclosed |