Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 1.00 |
| ▸ | ADRA2A | P08913 | 2/20 | 1.00 |
| ▸ | ADRA2B | P18089 | 1/20 | 1.00 |
| ▸ | MAOA | P21397 | 1/20 | 1.00 |
| ▸ | HTR2B | P41595 | 1/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.67 |
| ▸ | ADRB2 | P07550 | 5/20 | 0.67 |
| ▸ | CASR | P41180 | 4/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.67 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Bunitrolol SCHEMBL34721 | 1.00 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL29354749 | 1.00 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL34720 | 1.00 | HTR1A (1.00) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL142696 | 0.99 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL6061096 | 0.99 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL142695 | 0.99 | HTR1A (0.97) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10650914 | 0.90 | HTR1A (0.81) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11747215 | 0.88 | HTR1A (0.79) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Penirolol SCHEMBL1254596 | 0.88 | HTR1A (0.79) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10592687 | 0.88 | HTR1A (0.78) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2005099699-A1 | COMBINATION OF (S)-AMLODIPINE AND A BETA-BLOCKER, AND METHODS FOR REDUCING HYPERTENSION | SEPRACOR INC. (US) | 2005-10-27 | — | — | WO | disclosed |