Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.70 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.70 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4572834 | 0.91 | CHRM2 (0.58) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL14564422 | 0.87 | CHRM2 (0.71) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL14564376 | 0.83 | CHRM2 (0.67) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL12656515 | 0.83 | HDAC1 (0.56) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL12656475 | 0.83 | HDAC1 (0.57) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL23809266 | 0.82 | PDK1 (0.50) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL6327081 | 0.81 | CHRM2 (0.64) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL17571924 | 0.79 | CHRM2 (0.47) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL4700798 | 0.79 | ALDH1A1 (0.71) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 | |
| SCHEMBL12956755 | 0.79 | ALDH1A1 (0.59) | CHRM2CHRM4CHRM1CHRM3ALDH1A1 |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |
| WO-2007075895-A2 | HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |