Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CHKA | P35790 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1723959 | 0.92 | LMNA (0.44) | CYP2D6CYP2C19LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL1723479 | 0.71 | CYP2D6 (0.66) | CYP2D6CYP2C19LMNAL3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1712098 | 0.70 | CYP2D6 (0.64) | CYP2D6CYP2C19LMNAL3MBTL1ALDH1A1 | |
| Bromide SCHEMBL1712889 | 0.70 | CYP2D6 (0.64) | CYP2D6CYP2C19LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL1724177 | 0.69 | THRB (0.38) | LMNAALDH1A1SMN1; SMN2TSHRCES2 | |
| Acetic Acid SCHEMBL1712555 | 0.68 | CYP2D6 (0.60) | CYP2D6CYP2C19LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL1723900 | 0.67 | THRB (0.33) | CYP2D6CYP2C19LMNAL3MBTL1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11604018 | 0.67 | CYP2D6 (0.59) | CYP2D6CYP2C19LMNAL3MBTL1ALDH1A1 | |
| SCHEMBL1724231 | 0.66 | THRB (0.35) | CYP2D6LMNAALDH1A1TSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL1712399 | 0.65 | THRB (0.34) | ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8034122-B2 | Bleaching agent comprising 2-acylpyridinium derivatives | HENKEL AG & CO. KGAA (DE) | 2011-10-11 | — | — | US | disclosed |