Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 20/20 | 0.66 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.66 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL3040343 | 0.91 | CFTR (0.76) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3043604 | 0.85 | CFTR (0.65) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL2927265 | 0.84 | CFTR (0.64) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL4169965 | 0.84 | CFTR (0.65) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL29372103 | 0.83 | CFTR (0.64) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL3255376 | 0.83 | CFTR (0.64) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL15177570 | 0.83 | CFTR (0.60) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| Hydrochloric Acid SCHEMBL17074569 | 0.83 | CFTR (0.63) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL17675093 | 0.83 | CFTR (0.76) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL12189051 | 0.81 | CFTR (0.81) | 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-2578571-B1 | Isoquinoline modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2015-09-16 | — | — | EP | disclosed |
| EP-2578571-A1 | Isoquinoline modulators of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2013-04-10 | — | — | EP | disclosed |