Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.65 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.65 |
| ▸ | MAOA | P21397 | 1/20 | 0.65 |
| ▸ | HTR2B | P41595 | 1/20 | 0.65 |
| ▸ | CASR | P41180 | 6/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10922737 | 1.00 | HTR1A (0.65) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10927330 | 0.93 | HTR1A (0.63) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10927321 | 0.93 | HTR1A (0.63) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10924652 | 0.91 | HTR1A (0.60) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10924647 | 0.91 | HTR1A (0.60) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10929034 | 0.83 | HTR1A (0.71) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL10365603 | 0.82 | HTR1A (0.70) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| SCHEMBL11872099 | 0.82 | HTR1A (0.70) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Hydrochloric Acid SCHEMBL11758427 | 0.81 | HTR1A (0.68) | HTR1AADRA2AADRA2BMAOAHTR2B | |
| Bunitrolol SCHEMBL6506350 | 0.79 | HTR1A (1.00) | 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 |
|---|---|---|---|---|---|---|---|
| EP-0191724-A2 | 1,4-Dihydropyridine derivatives, their preparation and pharmaceutical compositions containing them | SANDOZ AG (CH) | 1986-08-20 | — | — | EP | claimed |