Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Levosimendan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B known ✓ | Q13370 | 16/20 | 1.00 |
| ▸ | PDE3A known ✓ | Q14432 | 16/20 | 1.00 |
| ▸ | TNNC1 known ✓ | P63316 | 1/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Simendan SCHEMBL80460 | 1.00 | PDE3B (1.00) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL83243 | 1.00 | PDE3B (1.00) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL1818300 | 1.00 | PDE3B (1.00) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL27742947 | 0.99 | PDE3B (0.98) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL30307096 | 0.99 | PDE3B (0.98) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL4737565 | 0.96 | PDE3B (0.91) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Simendan SCHEMBL23630217 | 0.94 | PDE3B (0.88) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| Levosimendan SCHEMBL29197894 | 0.90 | PDE3B (0.81) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| SCHEMBL11946689 | 0.89 | PDE3B (0.80) | PDE3BPDE3ATNNC1KDM4EALDH1A1 | |
| SCHEMBL8320982 | 0.87 | PDE3B (0.77) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1191935-A1 | A METHOD FOR THE TREATMENT OR PREVENTION OF CORONARY GRAFT VASOSPASM | ORION CORPORATION (FI) | 2002-04-03 | — | — | EP | disclosed |
| WO-2001000211-A1 | A METHOD FOR THE TREATMENT OR PREVENTION OF CORONARY GRAFT VASOSPASM | ORION CORPORATION (FI) | 2001-01-04 | — | — | WO | disclosed |