Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.40 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | APBA1 | Q02410 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14714581 | 0.84 | CYP11B1 (0.47) | CYP11B1CYP11B2ADORA2AADORA1ADORA3 | |
| SCHEMBL30183025 | 0.76 | CYP11B1 (0.52) | CYP11B1CYP11B2ALDH1A1MAPTHPGD | |
| SCHEMBL12285425 | 0.75 | CYP11B1 (0.39) | CYP11B1CYP11B2ADORA2AADORA1ADORA3 | |
| SCHEMBL16880660 | 0.74 | CYP11B1 (0.56) | CYP11B1CYP11B2ADORA2AADORA1ADORA3 | |
| SCHEMBL15941016 | 0.74 | TAAR1 (0.56) | CYP11B1CYP11B2ADORA2AADORA1ADORA2B | |
| SCHEMBL14974605 | 0.72 | ALDH1A1 (0.45) | CYP11B1CYP11B2ALDH1A1MAPTHPGD | |
| SCHEMBL11263094 | 0.70 | KMT2A (0.65) | ALDH1A1MAPTHPGDHTTKDM4E | |
| Ammonia Solution, Strong SCHEMBL11261489 | 0.68 | KMT2A (0.63) | ALDH1A1MAPTHPGDHTTKDM4E | |
| SCHEMBL15013249 | 0.68 | CYP11B1 (0.44) | CYP11B1CYP11B2ALDH1A1MAPTHPGD | |
| SCHEMBL14715315 | 0.67 | ALDH1A1 (0.70) | ALDH1A1MAPTHTTPOLBSMN1; SMN2 |
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 |