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 | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL15994842 | 0.82 | GAA (0.45) | PTGS2GAACYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL3731977 | 0.81 | CYP3A4 (0.35) | PTGS2GAACYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL3738425 | 0.81 | PTGS2 (0.37) | PTGS2GAACYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL3731849 | 0.81 | GAA (0.41) | PTGS2GAACYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL3738141 | 0.79 | CYP2C9 (0.35) | PTGS2GAACYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL3733198 | 0.78 | KMT2A (0.34) | PTGS2GAACYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL3738590 | 0.78 | CYP2C9 (0.37) | PTGS2CYP2C9SMN1; SMN2KMT2AACHE | |
| SCHEMBL3728992 | 0.77 | LMNA (0.33) | PTGS2GAACYP2C9SMN1; SMN2KMT2A | |
| SCHEMBL3739942 | 0.76 | KDM4E (0.33) | — | |
| Bromide SCHEMBL3735189 | 0.74 | TRIM24 (0.36) | ALDH1A1 |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1900393-B1 | Hydrogen peroxide activation with diones and imidazoles | HENKEL AG & CO KGAA (DE) | 2018-02-28 | — | — | EP | disclosed |
| EP-1862198-B1 | Brightening and/or dyeing agent with urea derivatives | HENKEL AG & CO KGAA (DE) | 2017-04-05 | — | — | EP | disclosed |
| EP-2026754-B1 | LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES | HENKEL AG & CO KGAA (DE) | 2015-09-30 | — | — | EP | disclosed |
| EP-2012742-B1 | BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES | HENKEL AG & CO KGAA (DE) | 2014-03-19 | — | — | EP | disclosed |
| US-20100278767-A1 | Lightening Agents and/or Dyes that Contain Aldehyde(s) | HENKEL AG & CO. KGAA (DE) | 2010-11-04 | — | — | US | disclosed |
| EP-2051689-A1 | LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) | Henkel AG & Co. KGaA (DE) | 2009-04-29 | — | — | EP | disclosed |
| EP-2026754-A2 | LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES | Henkel AG & Co. KGaA (DE) | 2009-02-25 | — | — | EP | disclosed |
| EP-2012742-A1 | BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES | Henkel AG & Co. KGaA (DE) | 2009-01-14 | — | — | EP | disclosed |
| EP-2007343-A1 | BLEACHING AGENTS CONTAINING PIPERIDONES | Henkel AG & Co. KGaA (DE) | 2008-12-31 | — | — | EP | disclosed |
| WO-2008068140-A2 | MEANS FOR BRIGHTENING COLOR MODIFICATION OF KERATINIC FIBERS, CONTAINING AN ALKYL PHOSPHORIC ACID ESTER | HENKEL AG & CO. KGAA (DE) | 2008-06-12 | — | — | WO | disclosed |
| WO-2008022996-A1 | LIGHTENING AGENTS AND/OR COLORANTS CONTAINING POLYOL ESTERS | HENKEL AG & CO. KGAA (DE) | 2008-02-28 | — | — | WO | disclosed |
| EP-1892013-A2 | Hydrogen peroxide activation with nonionic compounds | Henkel Kommanditgesellschaft auf Aktien (DE) | 2008-02-27 | — | — | EP | disclosed |
| EP-1891927-A2 | Hydrogen peroxide activation with methanol (hetero)aromatic compounds | Henkel Kommanditgesellschaft auf Aktien (DE) | 2008-02-27 | — | — | EP | disclosed |
| WO-2008019986-A1 | LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) | HENKEL AG & CO. KGAA (DE) | 2008-02-21 | — | — | WO | disclosed |
| EP-1882470-A2 | Hydrogen peroxide activation with betaines and/or aminoxides | Henkel Kommanditgesellschaft auf Aktien (DE) | 2008-01-30 | — | — | EP | disclosed |
| EP-1882495-A2 | Hydrogen peroxide activation with anionic tensides | Henkel Kommanditgesellschaft auf Aktien (DE) | 2008-01-30 | — | — | EP | disclosed |
| WO-2007137676-A2 | LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES | HENKEL AG & CO. KGAA (DE) | 2007-12-06 | — | — | WO | disclosed |
| EP-1862198-A2 | Brightening and/or dyeing agent with urea derivatives | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2007118618-A1 | BLEACHING AGENTS CONTAINING PIPERIDONES | HENKEL AG & CO. KGAA (DE) | 2007-10-25 | — | — | WO | disclosed |
| WO-2007118617-A1 | BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES | HENKEL AG & CO. KGAA (DE) | 2007-10-25 | — | — | 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-20100278767-A1 | Lightening Agents and/or Dyes that Contain Aldehyde(s) | CCR3, CBR3, CCRL2 | PTGS2 3001/4885GAA 4720/4885CYP2C9 1410/4885 |
“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.