Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL5271658 | 0.89 | PDCD1 (0.34) | CD274PDCD1 | |
| SCHEMBL5271781 | 0.87 | PTGIR (0.31) | — | |
| SCHEMBL6021284 | 0.85 | LTB4R2 (0.37) | CD274PDCD1 | |
| SCHEMBL5805321 | 0.83 | HDAC3 (0.40) | — | |
| SCHEMBL6021999 | 0.82 | LTB4R2 (0.33) | CD274PDCD1 | |
| SCHEMBL6022022 | 0.82 | CHRM2 (0.39) | CD274PDCD1 | |
| SCHEMBL6027475 | 0.80 | TRPV1 (0.37) | — | |
| SCHEMBL6021982 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL6021934 | 0.80 | MEN1 (0.40) | — | |
| SCHEMBL6022017 | 0.79 | HTR1A (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006098997-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-09-21 | — | — | WO | claimed |
| EP-1856048-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006098999-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-09-21 | — | — | WO | disclosed |
| WO-2006098997-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-09-21 | — | — | WO | disclosed |
| WO-2006099091-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2006-09-21 | — | — | WO | disclosed |