Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | VNN1 | O95497 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | MC3R | P41968 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4992989 | 0.79 | HDAC3 (0.48) | NAMPTCYP2C9VNN1HDAC3HDAC1 | |
| SCHEMBL29884167 | 0.79 | RECQL (0.53) | NAMPTCYP2C9VNN1HDAC3HDAC1 | |
| SCHEMBL21246171 | 0.79 | RECQL (0.53) | NAMPTCYP2C9VNN1HDAC3HDAC1 | |
| SCHEMBL14715293 | 0.79 | HDAC3 (0.43) | BAZ2BNAMPTCYP2C9VNN1HDAC3 | |
| SCHEMBL1933893 | 0.77 | HDAC3 (0.51) | NAMPTCYP2C9VNN1HDAC3HDAC1 | |
| SCHEMBL6988799 | 0.76 | SMN1; SMN2 (0.64) | SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL11556778 | 0.72 | HDAC3 (0.41) | NAMPTCYP2C9VNN1HDAC3HDAC1 | |
| SCHEMBL11642084 | 0.72 | BAZ2B (0.50) | BAZ2BCYP2C9VNN1HDAC3HDAC1 | |
| SCHEMBL23022741 | 0.71 | HDAC3 (0.50) | NAMPTCYP2C9VNN1HDAC3HDAC1 | |
| SCHEMBL3003564 | 0.71 | HDAC3 (0.50) | NAMPTCYP2C9VNN1HDAC3HDAC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2562157-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Peking University (CN) | 2013-02-27 | — | — | EP | claimed |
| EP-2562157-A1 | HETEROARYL (ALKYL) DITHIOCARBAMATE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | Peking University (CN) | 2013-02-27 | — | — | EP | disclosed |