Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 6/20 | 0.58 |
| ▸ | DRD2 | P14416 | 4/20 | 0.58 |
| ▸ | HTR2A | P28223 | 4/20 | 0.58 |
| ▸ | HTR7 | P34969 | 4/20 | 0.58 |
| ▸ | DRD3 | P35462 | 4/20 | 0.58 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.58 |
| ▸ | DRD1 | P21728 | 3/20 | 0.58 |
| ▸ | DRD5 | P21918 | 3/20 | 0.58 |
| ▸ | HRH1 | P35367 | 3/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | TNKS | O95271 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.57 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.57 |
| ▸ | DRD4 | P21917 | 4/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13711971 | 0.83 | KCNH2 (0.71) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL6660238 | 0.82 | LTA4H (0.48) | — | |
| SCHEMBL4519313 | 0.79 | KCNH2 (0.85) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL26108725 | 0.79 | KCNH2 (0.85) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL26107525 | 0.79 | KCNH2 (0.85) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL1307947 | 0.77 | KCNH2 (0.64) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL11070192 | 0.77 | KCNH2 (0.64) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL2522222 | 0.77 | POLB (0.64) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL15832760 | 0.77 | KCNH2 (0.64) | POLBHTR1ADRD2HTR2AHTR7 | |
| SCHEMBL102892 | 0.77 | KCNH2 (0.64) | POLBHTR1ADRD2HTR2AHTR7 |
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-105541702-A | Arylamine alkyl sulfide compound with structure similar to ruzadolane and preparation method of compound | UNIV YICHUN | 2016-05-04 | — | — | CN | disclosed |