Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Milrinone. 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 | |
|---|---|---|---|---|
| ▸ | PDE3A known ✓ | Q14432 | 13/20 | 0.51 |
| ▸ | PDE3B | Q13370 | 13/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29409515 | 0.81 | PDE3B (0.51) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL7282577 | 0.81 | CYP2C19 (0.75) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL11251403 | 0.80 | PDE3B (0.50) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL11234893 | 0.78 | PDE3B (0.49) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL7282692 | 0.77 | SMN1; SMN2 (0.47) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL7284126 | 0.77 | PDE3B (0.45) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL2930455 | 0.77 | SQOR (0.48) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL7283859 | 0.76 | PDE3B (0.44) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL29502081 | 0.76 | PDE3B (0.40) | PDE3BPDE3ACYP2C19KDM4EPDE5A | |
| SCHEMBL7291227 | 0.76 | ALDH1A1 (0.49) | PDE3BPDE3ACYP2C19KDM4EPDE5A |
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-2004108138-A1 | THERAPEUTIC COMBINATIONS COMPRISING PDE INHIBITORS AND VASOPRESSIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF DYSMENORRHOEA | PFIZER LIMITED (GB) | 2004-12-16 | — | — | WO | disclosed |