Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4171082 | 0.72 | MAOB (0.48) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B | |
| SCHEMBL4171085 | 0.72 | MAOB (0.48) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B | |
| SCHEMBL4171081 | 0.72 | MAOB (0.48) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B | |
| SCHEMBL1647077 | 0.69 | KDM4E (0.55) | SLC6A2SLC6A3ADRA1AHTR2BCYP2C19 | |
| SCHEMBL3263461 | 0.69 | KDM4E (0.55) | SLC6A2SLC6A3ADRA1AHTR2BCYP2C19 | |
| Trifluoromethanesulfonic Acid SCHEMBL4169047 | 0.69 | KDM4E (0.46) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B | |
| Trifluoromethanesulfonic Acid SCHEMBL4169045 | 0.69 | KDM4E (0.46) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B | |
| SCHEMBL4790557 | 0.69 | SMN1; SMN2 (0.46) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B | |
| SCHEMBL5019139 | 0.67 | SLC6A2 (0.53) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B | |
| SCHEMBL13778756 | 0.67 | SLC6A2 (0.53) | SMN1; SMN2SLC6A2SLC6A3ADRA1AHTR2B |
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-107922362-A | 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2018-04-17 | — | — | CN | disclosed |