Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13740973 | 0.84 | CYP2D6 (0.52) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL10619140 | 0.79 | CYP2D6 (0.47) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL28002283 | 0.74 | CYP2D6 (0.42) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL175241 | 0.73 | CHRM2 (0.44) | CYP2D6CYP2C19MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL9278864 | 0.72 | CYP2D6 (0.42) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL6692162 | 0.71 | PTPN1 (0.40) | ALDH1A1TSHRLMNANPC1RAB9A | |
| SCHEMBL7687688 | 0.71 | CRHR1 (0.46) | CRHR1 | |
| SCHEMBL31497259 | 0.70 | CYP2D6 (0.49) | CYP2D6CYP2C19MAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL9302381 | 0.70 | CYP2D6 (0.41) | CYP2D6CYP2C19HDAC1HDAC6HDAC2 | |
| SCHEMBL4070519 | 0.70 | CYP2D6 (0.49) | CYP2D6CYP2C19MAPTSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0052588-A1 | A novel process for preparing bromophenyl-pyridyl-allylamines | Astra Läkemedel Aktiebolag (SE) | 1982-05-26 | — | — | EP | disclosed |