Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL99708 | 1.00 | HCAR2 (0.42) | HCAR2CHRM3CHRM2CHRM1BLM | |
| Iodide SCHEMBL661448 | 0.99 | HCAR2 (0.42) | HCAR2CHRM3CHRM2CHRM1BLM | |
| SCHEMBL100254 | 0.96 | HCAR2 (0.38) | HCAR2CHRM3CHRM2CHRM1BLM | |
| SCHEMBL100253 | 0.96 | HCAR2 (0.38) | HCAR2CHRM3CHRM2CHRM1BLM | |
| Iodide SCHEMBL663255 | 0.95 | HCAR2 (0.38) | HCAR2CHRM3CHRM2CHRM1BLM | |
| Iodide SCHEMBL663564 | 0.91 | CHRM3 (0.39) | HCAR2CHRM3CHRM2CHRM1BLM | |
| SCHEMBL102772 | 0.90 | CHRM3 (0.41) | HCAR2CHRM3CHRM2CHRM1BLM | |
| SCHEMBL102771 | 0.90 | CHRM3 (0.41) | HCAR2CHRM3CHRM2CHRM1BLM | |
| Iodide SCHEMBL661583 | 0.90 | CHRM3 (0.41) | HCAR2CHRM3CHRM2CHRM1BLM | |
| SCHEMBL101610 | 0.89 | CHRM3 (0.39) | CHRM3CHRM2CHRM1BLMCHRM4 |
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-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | claimed |