Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1716087 | 0.95 | CYP2D6 (0.54) | CYP2D6CYP2C19KMT2ACA12CA9 | |
| Sulfuric Acid SCHEMBL2183925 | 0.87 | CYP2D6 (0.56) | CYP2D6CYP2C19ACHEL3MBTL1LMNA | |
| Sulfuric Acid SCHEMBL291364 | 0.87 | CYP2D6 (0.56) | CYP2D6CYP2C19ACHEL3MBTL1LMNA | |
| SCHEMBL1712432 | 0.86 | KDM4E (0.40) | CYP2D6KMT2ACYP3A4LMNAMAPT | |
| SCHEMBL143689 | 0.85 | LMNA (0.38) | CYP2D6KMT2ACYP3A4LMNAMAPT | |
| SCHEMBL1723479 | 0.84 | CYP2D6 (0.66) | CYP2D6CYP2C19ACHEL3MBTL1LMNA | |
| SCHEMBL146684 | 0.84 | LMNA (0.38) | CYP2D6KMT2ACYP3A4LMNARECQL | |
| SCHEMBL1716790 | 0.82 | LMNA (0.37) | CYP2D6CYP2C19KMT2ACYP3A4LMNA | |
| Acetic Acid SCHEMBL1712555 | 0.82 | CYP2D6 (0.60) | CYP2D6CYP2C19KMT2AACHEL3MBTL1 | |
| Hydrochloric Acid SCHEMBL1712098 | 0.82 | CYP2D6 (0.64) | CYP2D6CYP2C19ACHEL3MBTL1LMNA |
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 |
| 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 |
| EP-2355778-A2 | IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING | Henkel AG & Co. KGaA (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2344113-A2 | MEANS FOR TREATING KERATIN FIBRES CONTAINING CATIONIC PYRIDINIUM DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2011-07-20 | — | — | EP | disclosed |
| US-20110162671-A1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2011-07-07 | — | — | US | disclosed |
| EP-2320854-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2011-05-18 | — | — | EP | disclosed |
| EP-2271302-A1 | BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE | Henkel AG & Co. KGaA (DE) | 2011-01-12 | — | — | EP | disclosed |
| EP-2263642-A2 | Colouring bleaches | Henkel AG & Co. KGaA (DE) | 2010-12-22 | — | — | EP | disclosed |
| WO-2010066720-A2 | IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING | HENKEL AG & CO. KGAA (DE) | 2010-06-17 | — | — | WO | disclosed |
| WO-2010054981-A2 | COMBINATION OF CATIONIC BLEACH ACTIVATORS AND DYES | HENKEL AG & CO. KGAA (DE) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010029006-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2010-03-18 | — | — | WO | disclosed |
| WO-2009135700-A1 | BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE | HENKEL AG & CO. KGAA (DE) | 2009-11-12 | — | — | WO | 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 (1 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-20110162671-A1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | KRT18, CBR3, ACOX3 | CYP2D6 758/4885CYP2C19 1434/4885KMT2A 1707/4885 |
“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.