Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 16/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL393712 | 1.00 | CFTR (0.58) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL15656329 | 0.89 | CFTR (0.51) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL15656333 | 0.89 | CFTR (0.56) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL15656327 | 0.86 | CFTR (0.52) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL395990 | 0.85 | CFTR (0.71) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL397328 | 0.84 | CFTR (0.73) | CFTRGABRA1GABRB2 | |
| SCHEMBL396476 | 0.83 | CFTR (0.75) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL27818792 | 0.83 | CFTR (0.63) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL396931 | 0.83 | CFTR (0.67) | CFTRADORA3ADRB3TBXA2RSLC6A2 | |
| SCHEMBL393498 | 0.82 | CFTR (0.55) | CFTRADORA3ADRB3TBXA2RSLC6A2 |
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-2502911-A2 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-09-26 | — | — | EP | disclosed |
| EP-2489659-A1 | Modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2012-08-22 | — | — | EP | disclosed |
| EP-1773816-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002421-A2 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |