Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 11/20 | 0.67 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.31 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ECE1 | P42892 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20194994 | 0.93 | CFTR (0.67) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL19752912 | 0.91 | CFTR (0.64) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL12827016 | 0.89 | CFTR (0.70) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL19753219 | 0.89 | CFTR (0.75) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL17030579 | 0.89 | CFTR (0.67) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL20194902 | 0.87 | CFTR (0.72) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL13365163 | 0.87 | CFTR (0.77) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL14403854 | 0.87 | CFTR (0.67) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL20194830 | 0.86 | CFTR (0.64) | CFTRHTR2APDE4DSCN5ANR1I2 | |
| SCHEMBL19753173 | 0.85 | CFTR (0.62) | CFTRHTR2APDE4DSCN5ANR1I2 |
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 |