Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.36 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.35 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 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 | |
|---|---|---|---|---|
| SCHEMBL5628644 | 0.90 | GPR119 (0.40) | HTR2AHTR2CHTR2BBDKRB1FAAH | |
| SCHEMBL5632155 | 0.88 | BDKRB1 (0.48) | HTR2AHTR2CHTR2BBDKRB1HRH3 | |
| SCHEMBL4716498 | 0.87 | AKT1 (0.41) | HTR2AHTR2CHTR2BBDKRB1ITGB3 | |
| SCHEMBL4712314 | 0.80 | BDKRB1 (0.49) | HTR2AHTR2CHTR2BBDKRB1CHRNB1 | |
| SCHEMBL4714752 | 0.79 | HTR2A (0.40) | HTR2AHTR2CHTR2BBDKRB1CHRNB1 | |
| SCHEMBL4715875 | 0.78 | NPBWR1 (0.42) | BDKRB1PRMT5WDR77 | |
| SCHEMBL4711961 | 0.75 | HTR6 (0.44) | HTR2AHTR2CHTR2BBDKRB1PARP1 | |
| SCHEMBL5630710 | 0.74 | BDKRB1 (0.48) | HTR2AHTR2CHTR2BBDKRB1 | |
| SCHEMBL4717297 | 0.73 | PARP1 (0.40) | HTR2AHTR2CHTR2BBDKRB1ITGB3 | |
| SCHEMBL4711860 | 0.72 | BDKRB1 (0.51) | HTR2AHTR2CHTR2BBDKRB1PARP1 |
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-1877401-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | Elan Pharmaceuticals Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006113140-A2 | NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM | ELAN PHARMACEUTICALS, INC. (US) | 2006-10-26 | — | — | WO | disclosed |