Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 17/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16168269 | 0.89 | CFTR (0.41) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3638256 | 0.86 | CFTR (0.41) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL14038008 | 0.81 | CFTR (0.42) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3638454 | 0.80 | CFTR (0.42) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3669977 | 0.80 | CFTR (0.43) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL14037965 | 0.78 | CFTR (0.41) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3639131 | 0.77 | CFTR (0.49) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3639565 | 0.76 | CFTR (0.39) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL14037973 | 0.75 | CFTR (0.42) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL19594828 | 0.74 | CFTR (0.45) | CFTRNR1I2ADORA3CYP2C8CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2789606-A1 | Modulators of CFTR | Vertex Pharmaceuticals Incorporated (US) | 2014-10-15 | — | — | EP | disclosed |