Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 11/20 | 0.37 |
| ▸ | HTR1A | P08908 | 10/20 | 0.37 |
| ▸ | HTR2A | P28223 | 10/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31220098 | 0.83 | AHR (0.46) | PDE3BPDE3A | |
| SCHEMBL5366571 | 0.78 | CA9 (0.47) | PDE3BPDE3ANPC1MAPK13MAPK12 | |
| SCHEMBL29809401 | 0.78 | PDE3B (0.50) | PDE3BPDE3ANPC1MAPK13MAPK12 | |
| SCHEMBL18202413 | 0.78 | PDE3B (0.43) | PDE3BPDE3ANPC1MAPK13MAPK12 | |
| SCHEMBL4148301 | 0.78 | PDE3B (0.43) | PDE3BPDE3ANPC1MAPK13MAPK12 | |
| SCHEMBL4132924 | 0.78 | PDE3B (0.50) | PDE3BPDE3ANPC1MAPK13MAPK12 | |
| SCHEMBL5371747 | 0.78 | PDE3B (0.43) | PDE3BPDE3ANPC1MAPK13MAPK12 | |
| SCHEMBL13111251 | 0.77 | PDE3B (0.43) | PDE3BPDE3ANPC1MAPK13MAPK12 | |
| SCHEMBL335438 | 0.77 | DRD2 (0.49) | PDE3BPDE3ADRD2HTR1AHTR2A | |
| SCHEMBL3153757 | 0.75 | PDE3B (0.41) | PDE3BPDE3ANPC1MAPK13MAPK12 |
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 |