Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 11/20 | 0.85 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL20194811 | 0.93 | CFTR (0.76) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL1466013 | 0.92 | CFTR (1.00) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL31612136 | 0.92 | CFTR (1.00) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL1466011 | 0.92 | CFTR (1.00) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL14403846 | 0.91 | CFTR (0.82) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL13365163 | 0.88 | CFTR (0.77) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL23506732 | 0.88 | CFTR (0.77) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL14403558 | 0.87 | CFTR (0.71) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL14403559 | 0.87 | CFTR (0.75) | CFTRHTR2APDE4DSCN5ATHRA | |
| SCHEMBL13365091 | 0.86 | CFTR (0.75) | CFTRHTR2APDE4DSCN5ATHRA |
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-3327016-B1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2021-06-16 | — | — | EP | disclosed |