Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.39 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.37 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.37 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13700362 | 1.00 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRM1CHRM2CHRNB2CHRM3 | |
| SCHEMBL20017937 | 0.93 | ALDH1A1 (0.49) | SMN1; SMN2CHRM1CHRM2CHRNB2CHRM3 | |
| SCHEMBL13610209 | 0.93 | ALDH1A1 (0.49) | SMN1; SMN2CHRM1CHRM2CHRNB2CHRM3 | |
| SCHEMBL15108742 | 0.90 | CHRNB2 (0.42) | SMN1; SMN2CHRM1CHRM2CHRNB2CHRM3 | |
| SCHEMBL17706204 | 0.90 | CHRNB2 (0.42) | SMN1; SMN2CHRM1CHRM2CHRNB2CHRM3 | |
| SCHEMBL19959091 | 0.89 | CHRNB2 (0.43) | SMN1; SMN2CHRM1CHRM2CHRNB2CHRM3 | |
| SCHEMBL14395367 | 0.88 | SMN1; SMN2 (0.48) | SMN1; SMN2CHRM1SLC6A2SLC6A4TDP1 | |
| SCHEMBL19833463 | 0.84 | ALDH1A1 (0.41) | TDP1ALDH1A1GNAO1GNAI3GNAI1 | |
| SCHEMBL16181646 | 0.84 | ALDH1A1 (0.41) | TDP1ALDH1A1GNAO1GNAI3GNAI1 | |
| SCHEMBL13610211 | 0.82 | ALDH1A1 (0.46) | SMN1; SMN2CHRNB2CHRNA4TDP1ALDH1A1 |
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-3436446-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2023-06-07 | — | — | EP | disclosed |