Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 12/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 2/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3672957 | 0.90 | CFTR (0.57) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL16168276 | 0.86 | CFTR (0.44) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3671482 | 0.81 | CFTR (0.67) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3809245 | 0.80 | CFTR (0.54) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3670411 | 0.80 | CFTR (0.55) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL16161109 | 0.79 | CFTR (0.57) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL14038104 | 0.79 | CFTR (0.47) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3672585 | 0.79 | CFTR (0.58) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL16541446 | 0.79 | CFTR (0.50) | CFTR | |
| SCHEMBL4053349 | 0.77 | CFTR (0.53) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2789606-B1 | Modulators of CFTR | VERTEX PHARMA (US) | 2017-11-15 | — | — | EP | disclosed |
| WO-2008141119-A2 | MODULATORS OF CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-20 | — | — | WO | disclosed |