Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | DRD1 | P21728 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.44 |
| ▸ | THPO | P40225 | 3/20 | 0.44 |
| ▸ | MTOR | P42345 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17682028 | 1.00 | HDAC6 (0.54) | HDAC6TP53MAPK1CYP1A2ABCB1 | |
| SCHEMBL28588308 | 0.85 | TP53 (0.51) | HDAC6TP53MAPK1CYP1A2ABCB1 | |
| SCHEMBL18770799 | 0.85 | ALDH1A1 (0.50) | HTR1ASLC6A2TSHRRAB9AMAPT | |
| SCHEMBL29880724 | 0.85 | ALDH1A1 (0.50) | HTR1ASLC6A2TSHRRAB9AMAPT | |
| SCHEMBL12190901 | 0.84 | HDAC6 (0.62) | HDAC6ADRA2ASLC6A2SLC6A4DRD3 | |
| SCHEMBL29851224 | 0.84 | HDAC6 (0.62) | HDAC6ADRA2ASLC6A2SLC6A4DRD3 | |
| SCHEMBL17359379 | 0.84 | PTPN5 (0.40) | HDAC6TP53MAPK1CYP1A2ABCB1 | |
| SCHEMBL5795307 | 0.82 | HDAC6 (0.54) | HDAC6ADRA2ACYP2D6SLC6A2SLC6A4 | |
| SCHEMBL19801760 | 0.82 | NOX1 (0.46) | HDAC6TP53MAPK1CYP1A2ABCB1 | |
| SCHEMBL17359374 | 0.81 | CYBB (0.45) | HDAC6TP53MAPK1CYP1A2ABCB1 |
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-113026036-B | Method for synthesizing sulfur ylide compounds by using continuous flow electrochemical oxidation | 南京工业大学 | 2022-06-07 | — | — | CN | disclosed |