Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 8/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2639518 | 0.88 | NPC1 (0.45) | CD274NPC1RAB9ACHRM2AKT1 | |
| SCHEMBL6022372 | 0.85 | CHRM2 (0.33) | CD274NPC1RAB9ACHRM2AKT1 | |
| SCHEMBL5501520 | 0.83 | CHRM2 (0.43) | CD274NPC1RAB9AACHEKCNH2 | |
| SCHEMBL1303341 | 0.76 | CHRM2 (0.57) | CHRM2 | |
| SCHEMBL2639688 | 0.75 | POLB (0.44) | CD274NPC1RAB9AACHEKCNH2 | |
| SCHEMBL5412081 | 0.75 | CD274 (0.44) | CD274NPC1RAB9AAKT1AKT2 | |
| SCHEMBL2639950 | 0.75 | CHRM2 (0.37) | CD274NPC1RAB9AACHECHRM2 | |
| SCHEMBL6022071 | 0.73 | GAA (0.46) | CD274NPC1RAB9ADRD2KCNH2 | |
| SCHEMBL6022395 | 0.73 | EPHX2 (0.36) | CHRM2 | |
| SCHEMBL6021912 | 0.73 | CHRM2 (0.56) | CD274NPC1RAB9AACHECHRM2 |
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-1723114-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005087738-A1 | BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2005-09-22 | — | — | WO | disclosed |