Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 12/20 | 0.42 |
| ▸ | SELL | P14151 | 2/20 | 0.39 |
| ▸ | SELP | P16109 | 2/20 | 0.39 |
| ▸ | SELE | P16581 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL99206 | 0.84 | HCAR2 (0.40) | AKR1C3AKR1C2HCAR2GAAMEN1 | |
| SCHEMBL98704 | 0.81 | AKR1C3 (0.51) | AKR1C3AKR1C2HCAR2GAAMEN1 | |
| SCHEMBL660712 | 0.81 | CHRM3 (0.55) | — | |
| Iodide SCHEMBL98482 | 0.80 | CHRM3 (0.40) | — | |
| SCHEMBL100906 | 0.80 | HDAC1 (0.42) | AKR1C3AKR1C2HCAR2GAALMNA | |
| SCHEMBL101142 | 0.78 | AKR1C3 (0.53) | AKR1C3AKR1C2HCAR2GAAMEN1 | |
| SCHEMBL99701 | 0.77 | AKR1C3 (0.53) | AKR1C3AKR1C2HCAR2MEN1KMT2A | |
| SCHEMBL99615 | 0.77 | RAB9A (0.55) | AKR1C3AKR1C2HCAR2SELLSELP | |
| SCHEMBL99215 | 0.76 | AKR1C3 (0.49) | AKR1C3AKR1C2HCAR2GAAMEN1 | |
| SCHEMBL101646 | 0.76 | TSHR (0.50) | AKR1C3AKR1C2HCAR2GAAMEN1 |
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 |