Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 11/20 | 0.82 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL19753189 | 0.92 | CFTR (0.80) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL23506802 | 0.92 | CFTR (0.74) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL14403600 | 0.91 | CFTR (0.73) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL1466013 | 0.91 | CFTR (1.00) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL1466011 | 0.91 | CFTR (1.00) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL31612136 | 0.91 | CFTR (1.00) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL14403558 | 0.89 | CFTR (0.71) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL19752871 | 0.88 | CFTR (0.71) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL1466279 | 0.87 | CFTR (0.64) | CFTRHTR2APDE4DSCN5AHDAC1 | |
| SCHEMBL12741404 | 0.87 | CFTR (0.64) | CFTRHTR2APDE4DSCN5AHDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |
| EP-3091011-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2017-12-27 | — | — | EP | disclosed |