Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6021934 | 0.88 | MEN1 (0.40) | BCHETRPV1ITGB1ITGA4ITGB7 | |
| SCHEMBL6027362 | 0.85 | TRPV1 (0.39) | BCHETRPV1SLC2A1ITGB1ITGA4 | |
| SCHEMBL6027475 | 0.85 | TRPV1 (0.37) | TRPV1ERCC1ERCC4HTR1ADRD2 | |
| SCHEMBL6021946 | 0.85 | TRPV1 (0.47) | TRPV1 | |
| SCHEMBL6022017 | 0.84 | HTR1A (0.36) | TRPV1HTR5AHTR1ADRD2HTR7 | |
| SCHEMBL6021982 | 0.82 | ALDH1A1 (0.39) | BCHETRPV1ADRB2CHRM3 | |
| SCHEMBL6027383 | 0.81 | OPRM1 (0.36) | BCHESLC2A1ITGB1ITGA4ITGB7 | |
| SCHEMBL4695551 | 0.81 | CNR2 (0.40) | TRPV1HTR1ADRD2HTR7HTR6 | |
| SCHEMBL6022468 | 0.81 | ADRB2 (0.43) | TRPV1ERCC1ERCC4DRD2ADRB2 | |
| SCHEMBL5247685 | 0.80 | OPRK1 (0.37) | TRPV1ADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1723110-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087735-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | disclosed |