Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 16/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 16/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4692560 | 0.93 | CD274 (0.39) | PDCD1CD274LTA4H | |
| SCHEMBL4691952 | 0.92 | PDCD1 (0.35) | PDCD1CD274LTA4HALDH1A1 | |
| SCHEMBL6027383 | 0.91 | OPRM1 (0.36) | PDCD1CD274ALDH1A1 | |
| SCHEMBL4697200 | 0.91 | HDAC1 (0.37) | PDCD1CD274ALDH1A1 | |
| SCHEMBL4695511 | 0.90 | PDCD1 (0.34) | PDCD1CD274SMN1; SMN2HTT | |
| SCHEMBL4696628 | 0.89 | HDAC1 (0.35) | PDCD1CD274SMN1; SMN2HTTLTA4H | |
| SCHEMBL4695757 | 0.88 | CD274 (0.39) | PDCD1CD274SMN1; SMN2HTT | |
| SCHEMBL12505524 | 0.87 | ALDH1A1 (0.34) | SMN1; SMN2HTTALDH1A1 | |
| SCHEMBL4694768 | 0.87 | HDAC1 (0.36) | SMN1; SMN2LTA4H | |
| SCHEMBL4695736 | 0.86 | ALDH1A1 (0.40) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1893577-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-03-05 | — | — | EP | claimed |
| WO-2006138218-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-12-28 | — | — | WO | claimed |
| EP-1893577-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006138218-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-12-28 | — | — | WO | disclosed |