Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 20/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1723714 | 0.86 | CFTR (0.66) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL2031228 | 0.84 | CFTR (0.56) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL12407181 | 0.82 | CFTR (0.64) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL14038142 | 0.82 | CFTR (0.56) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL14037972 | 0.81 | CFTR (0.60) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL12188929 | 0.80 | CFTR (0.79) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL12189019 | 0.80 | CFTR (0.59) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL12189055 | 0.80 | CFTR (0.63) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL12407226 | 0.80 | CFTR (0.59) | CFTRPDE4DNR1I2ADORA3CYP2C8 | |
| SCHEMBL12509769 | 0.79 | CFTR (0.68) | CFTRPDE4DNR1I2ADORA3CYP2C8 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3696174-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| EP-2774925-B1 | Heterocyclic modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-12-28 | — | — | EP | disclosed |
| EP-2774925-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters | Vertex Pharmaceuticals Incorporated (US) | 2014-09-10 | — | — | EP | disclosed |
| EP-2395002-B1 | PHARMACEUTICAL COMPOSITION CONTAINING A HETEROCYCLIC MODULATOR OF ATP-BINDING CASSETTE TRANSPORTERS. | VERTEX PHARMA (US) | 2014-06-18 | — | — | EP | disclosed |
| EP-1945632-B1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2013-09-18 | — | — | EP | disclosed |
| EP-2404919-B1 | Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. | VERTEX PHARMA (US) | 2013-08-21 | — | — | EP | disclosed |
| EP-2404919-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2012-01-11 | — | — | EP | disclosed |
| EP-2395002-A1 | Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. | Vertex Pharmaceuticals Incorporated (US) | 2011-12-14 | — | — | EP | disclosed |