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 | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1712546 | 0.88 | MAPT (0.40) | CA12CA9KMT2AKDM4EMAPT | |
| SCHEMBL144101 | 0.85 | CA12 (0.39) | BCAT1CA12CA9KMT2AKDM4E | |
| Sulfuric Acid SCHEMBL1712638 | 0.83 | THRB (0.35) | CA12CA9KMT2AKDM4ESMN1; SMN2 | |
| Sulfuric Acid SCHEMBL2184270 | 0.83 | THRB (0.35) | CA12CA9KDM4EPKMSMN1; SMN2 | |
| SCHEMBL1712349 | 0.82 | HSD11B1 (0.33) | BCAT1CA12CA9KMT2AKDM4E | |
| SCHEMBL290496 | 0.80 | HSD11B1 (0.37) | BCAT1CA12CA9KMT2AKDM4E | |
| SCHEMBL1712373 | 0.79 | THRB (0.44) | KMT2AKDM4EMAPTLMNASMN1; SMN2 | |
| SCHEMBL290641 | 0.79 | CYP2D6 (0.35) | BCAT1CA12CA9KMT2AKDM4E | |
| Acetic Acid SCHEMBL19460666 | 0.77 | BCAT1 (0.46) | BCAT1CA12CA9KMT2ALMNA | |
| SCHEMBL1716087 | 0.77 | CYP2D6 (0.54) | CA12CA9KMT2AKDM4EMAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2320854-B1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO KGAA (DE) | 2012-01-18 | — | — | EP | claimed |
| US-8034122-B2 | Bleaching agent comprising 2-acylpyridinium derivatives | HENKEL AG & CO. KGAA (DE) | 2011-10-11 | — | — | US | claimed |
| US-20110162671-A1 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2011-07-07 | — | — | US | claimed |
| EP-2320854-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2011-05-18 | — | — | EP | claimed |
| WO-2010029006-A2 | BLEACHING AGENT COMPRISING 2-ACYLPYRIDINIUM DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2010-03-18 | — | — | WO | claimed |
| 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-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 |
| 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 |
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 | BCAT1 1005/4885CA12 1706/4885CA9 3098/4885 |
“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.