Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 3/20 | 0.42 |
| ▸ | WDR5 | P61964 | 10/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12186416 | 0.93 | CFTR (0.46) | CFTRWDR5THRBRXFP1TDP1 | |
| SCHEMBL14867186 | 0.88 | CFTR (0.42) | CFTRWDR5THRBRXFP1TDP1 | |
| SCHEMBL2979525 | 0.87 | CFTR (0.45) | CFTRWDR5ARADORA3ADRB3 | |
| SCHEMBL2977966 | 0.87 | CFTR (0.45) | CFTRWDR5ARADORA3ADRB3 | |
| SCHEMBL2974964 | 0.87 | CFTR (0.45) | CFTRWDR5ARADORA3ADRB3 | |
| SCHEMBL12280197 | 0.87 | CFTR (0.41) | CFTRWDR5THRBRXFP1TDP1 | |
| SCHEMBL14817512 | 0.86 | CFTR (0.45) | CFTRWDR5THRBRXFP1TDP1 | |
| SCHEMBL1354256 | 0.86 | CFTR (0.45) | CFTRWDR5THRBRXFP1TDP1 | |
| Hydrochloric Acid SCHEMBL1670558 | 0.86 | CFTR (0.44) | CFTRWDR5THRBRXFP1TDP1 | |
| SCHEMBL12283812 | 0.85 | CFTR (0.40) | CFTRWDR5THRBRXFP1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011050215-A1 | PROCESS FOR PREPARING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | WO | disclosed |