Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21244705 | 1.00 | SPHK1 (0.35) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL21288270 | 0.89 | SPHK1 (0.42) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL21275014 | 0.88 | SPHK1 (0.34) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL21245137 | 0.88 | SPHK1 (0.34) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL21274727 | 0.86 | SPHK1 (0.34) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL21244975 | 0.86 | SPHK1 (0.34) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL19959327 | 0.85 | NR1H2 (0.41) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL19637550 | 0.85 | NR1H2 (0.41) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL13606646 | 0.85 | NR1H2 (0.41) | SPHK1NR1H2CHRM2CHRM1CHRM3 | |
| SCHEMBL21274856 | 0.84 | CHRM2 (0.35) | SPHK1NR1H2CHRM2CHRM1CHRM3 |
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-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) | 2020-12-23 | — | — | 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 |