Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 9/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.42 |
| ▸ | HTR7 | P34969 | 8/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL28212829 | 0.84 | HTR7 (0.45) | SLC6A2SLC6A3SLC6A4HTR7HTR1A | |
| Fluoride SCHEMBL28212837 | 0.84 | HTR7 (0.45) | SLC6A2SLC6A3SLC6A4HTR7HTR1A | |
| SCHEMBL2933070 | 0.74 | ABCB1 (0.47) | SLC6A2SLC6A3HTR1AADRA2ADRD2 | |
| SCHEMBL2937179 | 0.74 | SLC6A2 (0.53) | SLC6A2SLC6A3SLC6A4HTR1ADRD2 | |
| SCHEMBL2936818 | 0.74 | SLC6A2 (0.53) | SLC6A2SLC6A3SLC6A4HTR1ADRD2 | |
| SCHEMBL28969434 | 0.74 | SLC6A2 (0.42) | SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL28783085 | 0.73 | ADRA1D (0.45) | SLC6A2SLC6A3SLC6A4HTR7DRD2 | |
| SCHEMBL3563940 | 0.72 | SLC6A2 (0.43) | SLC6A2SLC6A3SLC6A4 | |
| Hydrochloric Acid SCHEMBL4323836 | 0.71 | SLC6A2 (0.42) | SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL9675386 | 0.71 | SLC6A2 (0.42) | SLC6A2SLC6A3SLC6A4HTR2A |
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-106279226-B | The preparation method and application of two pyrroles's methines are complexed in 1,3,5,7- tetramethyls -8- (4- (4- (2- (morpholinyl) ethyl) piperazinyl) phenyl) boron fluoride | 北京师范大学 | 2018-06-12 | — | — | CN | disclosed |