Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 3/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | AADAT | Q8N5Z0 | 2/20 | 0.44 |
| ▸ | GOT1 | P17174 | 1/20 | 0.44 |
| ▸ | KYAT1 | Q16773 | 1/20 | 0.44 |
| ▸ | KYAT3 | Q6YP21 | 1/20 | 0.44 |
| ▸ | PYGL | P06737 | 9/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9560256 | 0.80 | MAPT (0.56) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| SCHEMBL30489337 | 0.80 | MAPT (0.56) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| SCHEMBL28136177 | 0.79 | ADRA1A (0.45) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| SCHEMBL28247488 | 0.79 | ADRA1A (0.45) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| Hydrochloric Acid SCHEMBL4800198 | 0.77 | AADAT (0.63) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| SCHEMBL12340980 | 0.77 | ADRA1A (0.44) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| Hydrochloric Acid SCHEMBL4800182 | 0.77 | AADAT (0.63) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| SCHEMBL10695532 | 0.76 | TSHR (0.65) | DRD4ADRA1ADRD2ADRA1DADRA1B | |
| SCHEMBL21339127 | 0.76 | ADRA2A (0.67) | ADRA1AADRA2AADRA2BADRA2CSLC6A2 | |
| SCHEMBL30489285 | 0.76 | TSHR (0.65) | DRD4ADRA1ADRD2ADRA1DADRA1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106660998-B | Pyrazolyl-3, 4-dihydroquinolin-2-one aldosterone synthase inhibitors | 豪夫迈·罗氏有限公司 | 2019-10-25 | — | — | CN | disclosed |
| CN-106795138-A | New EEDQ pyrazolyl compounds | 豪夫迈·罗氏有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106660998-A | Pyrazolyl-3, 4-dihydroquinolin-2-one aldosterone synthase inhibitors | 豪夫迈·罗氏有限公司 | 2017-05-10 | — | — | CN | disclosed |