Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.67 |
| ▸ | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | P62805 | 2/20 | 0.60 |
| ▸ | PDE3B | Q13370 | 4/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 4/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.48 |
| ▸ | GPR119 | Q8TDV5 | 7/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7312860 | 0.87 | BRD4 (0.74) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3AAGTR1 | |
| SCHEMBL16491985 | 0.80 | BRD4 (1.00) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3AAGTR1 | |
| SCHEMBL16491979 | 0.79 | BRD4 (0.86) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | |
| SCHEMBL16491980 | 0.78 | BRD4 (1.00) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3A | |
| SCHEMBL16486519 | 0.78 | BRD4 (0.71) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3AAGTR1 | |
| SCHEMBL16486520 | 0.77 | BRD4 (0.68) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3AAGTR1 | |
| SCHEMBL16512065 | 0.77 | BRD4 (0.81) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3A | |
| SCHEMBL16486421 | 0.76 | BRD4 (0.80) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3A | |
| SCHEMBL15723867 | 0.75 | BRD4 (1.00) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | |
| SCHEMBL9177261 | 0.74 | AGTR1 (0.63) | BRD4H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16PDE3BPDE3AAGTR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4361563-A | CARDIOTONIC, ANTITHROMBOTIC | DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-11-30 | — | — | US | disclosed |
| EP-0008391-A1 | Benzimidazoles, their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1980-03-05 | — | — | EP | disclosed |