Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 10/20 | 0.59 |
| ▸ | HTR1A | P08908 | 4/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 10/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3071166 | 0.99 | NISCH (0.57) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL546268 | 0.80 | NISCH (0.78) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL9654109 | 0.79 | NISCH (0.76) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL9653926 | 0.79 | NISCH (0.76) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL9655504 | 0.77 | NISCH (0.64) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL9654820 | 0.77 | NISCH (0.64) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL9655718 | 0.77 | HTR1A (0.72) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL3060887 | 0.75 | ADRA2A (0.53) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL9655719 | 0.75 | NISCH (0.62) | NISCHHTR1AADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL9655745 | 0.75 | ADRA2C (0.57) | ADRA2AADRA2BADRA2CADRA1AADRA1D |
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-101848640-A | The aryloxy alkyl imidazoline that replaces with the nitro of used as pesticides | SYNGENTA PARTICIPATIONS AG | 2010-09-29 | — | — | CN | disclosed |