Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 19/20 | 0.70 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.58 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.58 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.58 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.58 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.58 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.58 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.58 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL393334 | 1.00 | CFTR (0.70) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL2217204 | 0.94 | CFTR (0.68) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL393648 | 0.90 | CFTR (0.67) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL17223288 | 0.87 | CFTR (0.69) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL394469 | 0.84 | CFTR (0.67) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL395715 | 0.83 | CFTR (1.00) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL397053 | 0.82 | CFTR (0.59) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL396624 | 0.81 | CFTR (0.88) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL2978137 | 0.81 | CFTR (0.56) | CFTRGABRA1GABRB1GABRA5GABRA3 | |
| SCHEMBL398440 | 0.80 | CFTR (0.86) | CFTRGABRA1GABRB1GABRA5GABRA3 |
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-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 |