Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 3/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17594910 | 0.89 | CACNA1B (0.33) | CACNA1BPDE3BPDE3APARP1PARP2 | |
| SCHEMBL17595147 | 0.89 | CACNA1B (0.33) | CACNA1BPDE3BPDE3APARP1PARP2 | |
| Trifluoroacetic Acid SCHEMBL14741141 | 0.88 | CACNA1B (0.38) | CACNA1BPDE3BPDE3APARP1PARP2 | |
| SCHEMBL16567996 | 0.87 | CACNA1B (0.37) | CACNA1BPDE3BPDE3APARP1PARP2 | |
| SCHEMBL14745237 | 0.85 | CACNA1B (0.35) | CACNA1BPARP1PARP2 | |
| SCHEMBL14745082 | 0.85 | CACNA1B (0.35) | CACNA1BPARP1PARP2 | |
| SCHEMBL14745545 | 0.85 | PDE3B (0.32) | CACNA1BPDE3BPDE3APARP1PARP2 | |
| SCHEMBL14741105 | 0.85 | CACNA1B (0.31) | CACNA1B | |
| SCHEMBL17595205 | 0.83 | PDE3B (0.35) | PDE3BPDE3A | |
| SCHEMBL16568463 | 0.82 | PDE3B (0.34) | PDE3BPDE3A |
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-2016039936-A2 | MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | claimed |