Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.49 |
| ▸ | HCAR2 | Q8TDS4 | 7/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.47 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PLAU | P00749 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL99412 | 0.94 | HCAR2 (0.47) | AKR1C3AKR1C2HCAR2CYP1A2MAPT | |
| SCHEMBL98704 | 0.90 | AKR1C3 (0.51) | AKR1C3AKR1C2HCAR2TOP2ATOP2B | |
| SCHEMBL100326 | 0.84 | HCAR2 (0.46) | AKR1C3AKR1C2HCAR2MAPTGAA | |
| SCHEMBL100906 | 0.84 | HDAC1 (0.42) | AKR1C3AKR1C2HCAR2TOP2ATOP2B | |
| SCHEMBL99078 | 0.83 | HCAR2 (0.42) | HCAR2TOP2ATOP2BCYP1A2PLAU | |
| SCHEMBL101223 | 0.83 | HDAC1 (0.51) | AKR1C3AKR1C2MAPTHDAC1MEN1 | |
| SCHEMBL100288 | 0.83 | PTGDR2 (0.46) | AKR1C3AKR1C2HCAR2MAPTGAA | |
| SCHEMBL100587 | 0.83 | RORC (0.46) | AKR1C3AKR1C2HCAR2MAPTGAA | |
| SCHEMBL101142 | 0.82 | AKR1C3 (0.53) | AKR1C3AKR1C2HCAR2MAPTGAA | |
| SCHEMBL101623 | 0.82 | HDAC2 (0.48) | HCAR2MAPTHDAC1MEN1ALDH1A1 |
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 |