Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 11/20 | 0.69 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | ECE1 | P42892 | 2/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ANXA2 | P07355 | 1/20 | 0.33 |
| ▸ | S100A10 | P60903 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19752871 | 0.95 | CFTR (0.71) | CFTRHTTKMT2AHDAC1ECE1 | |
| SCHEMBL19753219 | 0.90 | CFTR (0.75) | CFTRKMT2AECE1NR1I2HTR2A | |
| SCHEMBL20194902 | 0.90 | CFTR (0.72) | CFTRKMT2AECE1NR1I2HTR2A | |
| SCHEMBL12827016 | 0.89 | CFTR (0.70) | CFTRHTTECE1NR1I2HTR2A | |
| SCHEMBL13365163 | 0.88 | CFTR (0.77) | CFTRKMT2AECE1NR1I2HTR2A | |
| SCHEMBL19753122 | 0.88 | CFTR (0.69) | CFTRKMT2AECE1NR1I2HTR2A | |
| SCHEMBL14403579 | 0.87 | CFTR (0.73) | CFTRKMT2AECE1NR1I2HTR2A | |
| SCHEMBL23506802 | 0.86 | CFTR (0.74) | CFTRHTTKMT2AHDAC1ECE1 | |
| SCHEMBL14845742 | 0.86 | CFTR (0.51) | CFTRHTTKMT2AKDM4EALDH1A1 | |
| SCHEMBL19753065 | 0.86 | CFTR (0.82) | CFTRHTTKMT2AHDAC1NR1I2 |
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-B1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2021-06-16 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |