Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR3C1 | P04150 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 5/20 | 0.40 |
| ▸ | HTR7 | P34969 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | WEE1 | P30291 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | SCD | O00767 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR1F | P30939 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22743605 | 0.86 | HTR2A (0.41) | NR3C1HTR2AHTR7KCNH2WEE1 | |
| SCHEMBL30271240 | 0.83 | CHEK1 (0.42) | NR3C1HTR2AHTR7KCNH2WEE1 | |
| SCHEMBL3353482 | 0.83 | CHEK1 (0.42) | NR3C1HTR2AHTR7KCNH2WEE1 | |
| SCHEMBL29042132 | 0.83 | HTR7 (0.41) | NR3C1HTR2AHTR7KCNH2WEE1 | |
| SCHEMBL18965035 | 0.80 | NR3C1 (0.47) | NR3C1HTR2AHTR7KCNH2DRD2 | |
| SCHEMBL3356648 | 0.78 | GLS (0.44) | HTR2AHTR7KCNH2DRD2GPR119 | |
| SCHEMBL3352822 | 0.75 | HTR1A (0.41) | NR3C1SCDHTR1AHTR1BHTR1F | |
| SCHEMBL13537597 | 0.74 | HTR1A (0.52) | HTR2AHTR7KCNH2DRD2SCD | |
| SCHEMBL13106880 | 0.73 | HRH3 (0.44) | MAPK8MAPK10MAPK14 | |
| SCHEMBL14566638 | 0.73 | ABCB1 (0.50) | NR3C1HTR2A |
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-3604306-A1 | MACROCYCLIC DERIVATIVE OF PYRAZOL[3,4-D]PYRIMIDIN-3-ONE, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai de Novo Pharmatech Co., Ltd. (CN) | 2020-02-05 | — | — | EP | disclosed |