Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 16/20 | 0.71 |
| ▸ | PDE3A | Q14432 | 16/20 | 0.71 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | PDE4A | P27815 | 2/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7286065 | 0.91 | PDE3B (0.71) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| SCHEMBL22130281 | 0.89 | PDE3B (0.70) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| SCHEMBL22130282 | 0.89 | PDE3B (0.70) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| SCHEMBL22130064 | 0.85 | PDE3B (0.69) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL83243 | 0.83 | PDE3B (1.00) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Simendan SCHEMBL80460 | 0.83 | PDE3B (1.00) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL7417215 | 0.83 | PDE3B (1.00) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL1818300 | 0.83 | PDE3B (1.00) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| SCHEMBL24707001 | 0.83 | PDE3B (0.67) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| SCHEMBL22130224 | 0.83 | PDE3B (0.67) | PDE3BPDE3ATNNC1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020130214-A1 | NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF | 한국과학기술연구원 | 2020-06-25 | — | — | WO | disclosed |