Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.67 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
| ▸ | HTR2B | P41595 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.54 |
| ▸ | CASR | P41180 | 4/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15677583 | 0.82 | HTR1A (0.66) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL34720 | 0.81 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL6506350 | 0.81 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL29354749 | 0.81 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL34721 | 0.81 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11454087 | 0.80 | HTR1A (0.63) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL142696 | 0.80 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL142695 | 0.80 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL6061096 | 0.80 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10203042 | 0.79 | HTR1A (0.63) | HTR1AADRA2AADRA2BMAOAHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| US-4182911-A | BETA-ADRENERGIC BLOCKING AGENTS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-01-08 | — | — | US | disclosed |