Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL99215 | 0.84 | AKR1C3 (0.49) | HDAC1AKR1C3AKR1C2MAPTGAA | |
| SCHEMBL661537 | 0.82 | CHRM3 (0.51) | — | |
| SCHEMBL98704 | 0.82 | AKR1C3 (0.51) | HDAC1AKR1C3AKR1C2MAPTGAA | |
| Iodide SCHEMBL99557 | 0.82 | CHRM3 (0.37) | HDAC1 | |
| SCHEMBL101249 | 0.80 | AKR1C3 (0.45) | AKR1C3AKR1C2MAPTGAAHCAR2 | |
| SCHEMBL100326 | 0.79 | HCAR2 (0.46) | HDAC1AKR1C3AKR1C2MAPTGAA | |
| SCHEMBL100587 | 0.78 | RORC (0.46) | HDAC1AKR1C3AKR1C2MAPTGAA | |
| SCHEMBL100288 | 0.78 | PTGDR2 (0.46) | HDAC1AKR1C3AKR1C2MAPTGAA | |
| SCHEMBL99412 | 0.78 | HCAR2 (0.47) | HDAC1AKR1C3AKR1C2MAPTHCAR2 | |
| SCHEMBL15821963 | 0.77 | AKR1C3 (0.50) | HDAC1AKR1C3AKR1C2MAPTGAA |
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 |