Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 7/20 | 0.52 |
| ▸ | PDE3A | Q14432 | 7/20 | 0.52 |
| ▸ | PDE2A | O00408 | 1/20 | 0.52 |
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10470250 | 0.85 | CYP1A2 (0.40) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL10469492 | 0.78 | PDE3B (0.71) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL10690916 | 0.69 | PDE3B (0.46) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL10684945 | 0.69 | PDE3B (0.44) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL10468427 | 0.69 | PDE3B (0.69) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL10551860 | 0.69 | PDE3B (0.46) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL11206290 | 0.69 | PDE3B (1.00) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL7416619 | 0.68 | GPR119 (0.46) | PDE3BPDE3AGPR119BRD4CREBBP | |
| SCHEMBL10549976 | 0.66 | PDE3B (0.68) | PDE3BPDE3APDE2APDE4APDE4B | |
| SCHEMBL10550384 | 0.65 | PDE3B (0.46) | PDE3BPDE3APDE4APDE4BPDE4C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4826835-A | INOTROPIC AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1989-05-02 | — | — | US | claimed |
| US-4954494-A | Cardiotonic and inotropic agents | RORER PHARMACEUTICAL CORPORATION (US) | 1990-09-04 | — | — | US | disclosed |
| WO-1989008108-A1 | PYRIDYL-PYRIDAZINONE AND PYRIDYL-PYRAZOLINONE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CONGESTIVE HEART FAILURE | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-09-08 | — | — | WO | disclosed |
| US-4826835-A | INOTROPIC AGENTS | RORER PHARMACEUTICAL CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |