Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSPO | P30536 | 1/20 | 0.39 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15471256 | 0.76 | PYCR1 (0.51) | APLNRALDH1A1HTTSMN1; SMN2PYCR1 | |
| SCHEMBL17275883 | 0.74 | SMN1; SMN2 (0.51) | APLNRALDH1A1HTTSMN1; SMN2PYCR1 | |
| SCHEMBL21063311 | 0.72 | ALDH1A1 (0.41) | ALDH1A1HTTSMN1; SMN2ACHEMEN1 | |
| SCHEMBL6826320 | 0.71 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ATDP1AOC3 | |
| SCHEMBL11791442 | 0.71 | PYCR1 (0.47) | APLNRALDH1A1HTTSMN1; SMN2PYCR1 | |
| SCHEMBL13062564 | 0.71 | APLNR (0.53) | APLNRALDH1A1HTTSMN1; SMN2PYCR1 | |
| SCHEMBL911097 | 0.70 | TAAR1 (0.55) | ALDH1A1HTTSMN1; SMN2AOC3 | |
| SCHEMBL25279680 | 0.69 | APLNR (0.59) | APLNR | |
| SCHEMBL15094004 | 0.69 | APLNR (0.59) | APLNRALDH1A1HTTSMN1; SMN2PYCR1 | |
| SCHEMBL9081717 | 0.69 | APLNR (0.55) | APLNRALDH1A1HTTSMN1; SMN2PYCR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752510-B1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMA (US) | 2022-12-07 | — | — | EP | disclosed |
| WO-2019161078-A1 | MACROCYCLES AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS THEREOF, THEIR USE IN THE TREATMENT OF CYCSTIC FIBROSIS, AND PROCESS FOR MAKING THEM | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2019-08-22 | — | — | WO | disclosed |