Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 4/20 | 0.51 |
| ▸ | GFER | P55789 | 3/20 | 0.51 |
| ▸ | RAD52 | P43351 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5707920 | 0.99 | KDM4E (0.53) | KDM4EMAPTGAAGFERRAD52 | |
| Hydrochloric Acid SCHEMBL5707943 | 0.96 | KDM4E (0.48) | KDM4EMAPTGAAGFERRAD52 | |
| SCHEMBL5707914 | 0.95 | KDM4E (0.49) | KDM4EMAPTGAAGFERRAD52 | |
| Hydrochloric Acid SCHEMBL5345638 | 0.89 | MAPT (0.45) | KDM4EMAPTGAAGFERRAD52 | |
| Hydrochloric Acid SCHEMBL5390064 | 0.88 | MAPT (0.45) | KDM4EMAPTGAAGFERRAD52 | |
| SCHEMBL6746551 | 0.88 | MAPT (0.46) | KDM4EMAPTGAAGFERRAD52 | |
| SCHEMBL6748711 | 0.87 | MAPT (0.46) | KDM4EMAPTGAAGFERRAD52 | |
| Hydrochloric Acid SCHEMBL5707964 | 0.84 | GAA (0.56) | KDM4EMAPTGAARAD52PTK2B | |
| SCHEMBL5707909 | 0.82 | GAA (0.58) | KDM4EMAPTGAARAD52PTK2B | |
| Hydrochloric Acid SCHEMBL5707952 | 0.81 | GAA (0.53) | KDM4EMAPTGAARAD52PTK2B |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1462445-B1 | Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres | OREAL (FR) | 2006-10-18 | — | — | EP | claimed |
| US-7090703-B2 | Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers | L'OREAL (FR) | 2006-08-15 | — | — | US | claimed |
| US-20060123565-A9 | PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS | SABELLE STEPHANE | 2006-06-15 | — | — | US | claimed |
| US-20050066451-A1 | Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers | L'OREAL S.A. (FR) | 2005-03-31 | — | — | US | claimed |
| US-7090703-B2 | Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers | L'OREAL (FR) | 2006-08-15 | — | — | US | disclosed |
| US-20060123565-A9 | PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS | SABELLE STEPHANE | 2006-06-15 | — | — | US | disclosed |
| US-20050066451-A1 | Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers | L'OREAL S.A. (FR) | 2005-03-31 | — | — | US | 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 (2 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-20050066451-A1 | Para-phenylenediamine derivatives comprising a cyclic diaza group substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers | KRT18, VIM, DDAH1 | KDM4E 1048/4885MAPT 2832/4885GAA 4321/4885 |
| US-20060123565-A9 | PARA-PHENYLENEDIAMINE DERIVATIVES COMPRISING A CYCLIC DIAZA GROUP SUBSTITUTED WITH A CATIONIC RADICAL, AND USE OF THESE DERIVATIVES FOR DYEING KERATIN FIBERS | KRT18, VIM, DDAH1 | KDM4E 1048/4885MAPT 2832/4885GAA 4321/4885 |
“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.