Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GALR3 | O60755 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3270013 | 0.87 | ALDH1A1 (0.52) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL5859368 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL7047113 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL10627628 | 0.79 | ALDH1A1 (0.41) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| Methylene Chloride SCHEMBL4914004 | 0.78 | ALDH1A1 (0.59) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL28353125 | 0.78 | LMNA (0.45) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL15894468 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL40361 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CHRM5CHRM1CHRM3PGR | |
| SCHEMBL338767 | 0.77 | — | — | |
| SCHEMBL1830509 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101098698-A | 5-carboxamido-substituted thiazole derivatives which interact with ion channels, in particular ion channels of the Kv family | DEVGEN NV (BE) | 2008-01-02 | — | — | CN | disclosed |