Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13530310 | 0.83 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL23642785 | 0.81 | VNN1 (0.42) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL23642689 | 0.81 | CCNE2 (0.53) | MAPTEGFRPOLBNR2F2LMNA | |
| SCHEMBL34462329 | 0.80 | KDM4E (0.52) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL23642668 | 0.78 | PDE4A (0.38) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL21416296 | 0.76 | TSHR (0.49) | TSHRCCNE2CCNE1CDK2 | |
| SCHEMBL21416315 | 0.75 | TSHR (0.51) | TSHRMEN1KMT2ACCNE2CCNE1 | |
| SCHEMBL23642795 | 0.73 | CLK1 (0.45) | MAPTEGFRPOLBNR2F2HTT | |
| SCHEMBL21416204 | 0.72 | CYP3A4 (0.47) | TSHR | |
| SCHEMBL23642787 | 0.72 | CYP3A4 (0.45) | POLBTSHR |
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-3546457-B1 | PYRAZOLO-HETEROARYL DERIVATIVE, PREPARATION METHOD AND MEDICAL USE THEREOF | JIANGSU HENGRUI MEDICINE CO (CN) | 2021-07-14 | — | — | EP | disclosed |