Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 3/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.37 |
| ▸ | SLC6A5 | Q9Y345 | 7/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 5/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.34 |
| ▸ | ESRRG | P62508 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6027738 | 0.87 | ESRRG (0.40) | PDCD1CD274SLC6A5ITGB1ITGA4 | |
| SCHEMBL6027362 | 0.84 | TRPV1 (0.39) | PDCD1CD274SLC6A5ITGB1ITGA4 | |
| SCHEMBL5247685 | 0.82 | OPRK1 (0.37) | SLC6A5 | |
| SCHEMBL6027475 | 0.81 | TRPV1 (0.37) | SLC6A5 | |
| SCHEMBL6027383 | 0.80 | OPRM1 (0.36) | PDCD1CD274SLC6A5ITGB1ITGA4 | |
| SCHEMBL4695001 | 0.80 | CD274 (0.46) | PDCD1CD274 | |
| SCHEMBL6028196 | 0.80 | ITGB1 (0.33) | SLC6A5ITGB1ITGA4ITGB7 | |
| SCHEMBL5281472 | 0.80 | TAAR1 (0.37) | — | |
| SCHEMBL6022221 | 0.79 | BCHE (0.39) | PDCD1CD274ITGB1ITGA4ITGB7 | |
| SCHEMBL5280111 | 0.79 | EPHX2 (0.37) | ACKR3 |
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-1723108-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | claimed |
| WO-2005087733-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | claimed |
| EP-1723108-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087733-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | disclosed |