Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668441 | 0.90 | CFTR (0.47) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL19594826 | 0.79 | NR1I2 (0.36) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL14038075 | 0.77 | CFTR (0.50) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL14038112 | 0.77 | CFTR (0.50) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL19594727 | 0.74 | CFTR (0.49) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL3671219 | 0.74 | CFTR (0.54) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL3670048 | 0.73 | CFTR (0.71) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL3671993 | 0.70 | CFTR (0.46) | NR1I2ADORA3CYP2C8CYP2C9CFTR | |
| SCHEMBL16161274 | 0.69 | ADORA2B (0.46) | ADORA3 | |
| SCHEMBL14038008 | 0.68 | CFTR (0.42) | NR1I2ADORA3CYP2C8CYP2C9CFTR |
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 |