Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL146684 | 0.93 | LMNA (0.38) | CYP2D6ALDH1A1KMT2AKDM4ELMNA | |
| Sulfuric Acid SCHEMBL1030156 | 0.90 | CYP2D6 (0.34) | CYP2D6CYP2C19ALDH1A1KDM4EPOLB | |
| Sulfuric Acid SCHEMBL2185375 | 0.90 | CYP2D6 (0.34) | CYP2D6CYP2C19ALDH1A1KMT2AKDM4E | |
| SCHEMBL149591 | 0.87 | CYP2D6 (0.39) | CYP2D6CYP2C19ALDH1A1KMT2AKDM4E | |
| SCHEMBL290496 | 0.86 | HSD11B1 (0.37) | CYP2D6CYP2C19ALDH1A1GAAKMT2A | |
| SCHEMBL291055 | 0.85 | MAPK1 (0.38) | CYP2D6CYP2C19ALDH1A1GAAKMT2A | |
| Acetic Acid SCHEMBL1716571 | 0.85 | CYP2D6 (0.36) | CYP2D6CYP2C19GAAKMT2APOLB | |
| Bromide SCHEMBL1652337 | 0.85 | CYP2D6 (0.38) | CYP2D6CYP2C19ALDH1A1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL1717299 | 0.85 | CYP2D6 (0.38) | CYP2D6CYP2C19ALDH1A1KMT2AKDM4E | |
| SCHEMBL290641 | 0.84 | CYP2D6 (0.35) | CYP2D6CYP2C19ALDH1A1GAAKMT2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2263642-B1 | Colouring bleaches | HENKEL AG & CO KGAA (DE) | 2020-04-15 | — | — | EP | disclosed |
| US-8277516-B2 | Lightening agent having cationic acylpyridinium derivatives and certain ammonium compounds | HENKEL AG & CO. KGAA (DE) | 2012-10-02 | — | — | US | disclosed |
| US-8277517-B2 | Lightening agent having cationic acylpyridinium derivatives and certain amino acids | HENKEL AG & CO. KGAA (DE) | 2012-10-02 | — | — | US | disclosed |
| EP-2488154-A2 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS | Henkel AG & Co. KGaA (DE) | 2012-08-22 | — | — | EP | disclosed |
| EP-2488155-A2 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS | Henkel AG & Co. KGaA (DE) | 2012-08-22 | — | — | EP | disclosed |
| US-20120192890-A1 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS | HENKEL AG & CO. KGAA (DE) | 2012-08-02 | — | — | US | disclosed |
| US-20120192891-A1 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS | HENKEL AG & CO. KGAA (DE) | 2012-08-02 | — | — | US | disclosed |
| EP-2320854-B1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO KGAA (DE) | 2012-01-18 | — | — | EP | disclosed |
| US-8034122-B2 | Bleaching agent comprising 2-acylpyridinium derivatives | HENKEL AG & CO. KGAA (DE) | 2011-10-11 | — | — | US | disclosed |
| US-20110162671-A1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2011-07-07 | — | — | US | disclosed |
| WO-2011045142-A2 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS | HENKEL AG & CO. KGAA (DE) | 2011-04-21 | — | — | WO | disclosed |
| WO-2011045134-A2 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS | HENKEL AG & CO. KGAA (DE) | 2011-04-21 | — | — | WO | disclosed |
| EP-2263642-A2 | Colouring bleaches | Henkel AG & Co. KGaA (DE) | 2010-12-22 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120192890-A1 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMMONIUM COMPOUNDS | KRT18, AAAS, KATNAL2 | CYP2D6 2612/4885CYP2C19 2920/4885ALDH1A1 127/4885 |
| US-20110162671-A1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | KRT18, CBR3, ACOX3 | CYP2D6 758/4885CYP2C19 1434/4885ALDH1A1 401/4885 |
| US-20120192891-A1 | LIGHTENING AGENT HAVING CATIONIC ACYLPYRIDINIUM DERIVATIVES AND CERTAIN AMINO ACIDS | ALAD, AADAT, ALDH7A1 | CYP2D6 2480/4885CYP2C19 2444/4885ALDH1A1 140/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.