Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5480784

C[N+](C)(C)CCNc1ccccc1N.[Cl-]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
GAA P10253 5/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
APP P05067 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
SNCA P37840 1/20 0.40
BLM P54132 1/20 0.40

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.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL7638024 0.98 MAPT (0.41) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL2925414 0.98 MAPT (0.44) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL2930113 0.80 KDM4E (0.36) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL6201094 0.80 MAPT (0.52) MAPTGAAKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL6266459 0.78 HDAC6 (0.38) MAPTGAAKDM4EALDH1A1MEN1
Bromide SCHEMBL6271708 0.78 KDM4E (0.36) MAPTGAAKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL7638960 0.77 HDAC6 (0.54) MAPTGAAKDM4EALDH1A1TDP1
SCHEMBL15546688 0.76 PRSS1 (0.41) MAPTGAAKDM4EALDH1A1HSD17B10
SCHEMBL15041173 0.76 LMNA (0.39) MAPTKDM4ELMNASMN1; SMN2HSD17B10
SCHEMBL3628342 0.76 IDO1 (0.47) MAPTGAAKDM4EALDH1A1MEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP claimed
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US claimed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US claimed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 US claimed
US-20070226917-A1 Hair Dye Agent Comprising Organosilicon Copolymers with Amino Groups and Polyoxyalkylene Groups and Use Thereof HENKEL KGAA (DE) 2007-10-04 US disclosed
US-7179303-B2 Active ingredient combinations for hair-dyeing agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-02-20 US disclosed
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US disclosed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US disclosed
US-20040133996-A1 Active ingredient combinations for hair-dyeing agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 US disclosed
US-20040064901-A1 Enzymatic coloring agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-04-08 US disclosed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 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 (4 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040133996-A1 Active ingredient combinations for hair-dyeing agents KRT18, COL1A1, MKI67 MAPT 2503/4885GAA 1489/4885KDM4E 2440/4885
US-20040064901-A1 Enzymatic coloring agents GLA, HEXA, HSD17B14 MAPT 2435/4885GAA 49/4885KDM4E 1044/4885
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER KRT18, AOC1, CYB5R3 MAPT 615/4885GAA 4232/4885KDM4E 1751/4885
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRT18, AOC1, CYB5R3 MAPT 615/4885GAA 4232/4885KDM4E 1751/4885

“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.