Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6130246

CC(O)c1ccc(NCc2ccc[n+](C)c2)cc1O.[Cl-]

nearest known ligand 0.39

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
▸ ARG1 P05089 1/20 0.39
▸ CYP2C19 P33261 1/20 0.36
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34
▸ TUBA1B P68363 2/20 0.34
▸ TUBA4A P68366 2/20 0.34
▸ TUBB4B P68371 2/20 0.34
▸ TUBB3 Q13509 2/20 0.34
▸ TUBB2A Q13885 2/20 0.34
▸ TUBB8 Q3ZCM7 2/20 0.34
▸ TUBA3E Q6PEY2 2/20 0.34
▸ TUBA1A Q71U36 2/20 0.34
▸ TUBA1C Q9BQE3 2/20 0.34
▸ TUBB6 Q9BUF5 2/20 0.34
▸ TUBB2B Q9BVA1 2/20 0.34
▸ TUBB1 Q9H4B7 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ INSR P06213 1/20 0.34
▸ IGF1R P08069 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL6130247 0.85 EGFR (0.32) ARG1CYP2C19EGFRSMN1; SMN2
Hydrochloric Acid SCHEMBL6130295 0.82 TUBB4A (0.50) ARG1CYP2C19TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL6130235 0.80 ARG1 (0.41) ARG1CYP2C19TUBB4ATUBBTUBA3C
Bromide SCHEMBL6130243 0.79 TUBB4A (0.50) ARG1CYP2C19TUBB4ATUBBTUBA3C
Iodide SCHEMBL6130228 0.79 TUBB4A (0.50) ARG1CYP2C19TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL6130248 0.78 ARG1 (0.39) ARG1CYP2C19TUBB4ATUBBTUBA3C
SCHEMBL6130234 0.71 TUBB4A (0.48) ARG1CYP2C19TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL6130226 0.71 TUBB4A (0.47) ARG1CYP2C19TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL6130242 0.70 ARG1 (0.39) ARG1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL6130233 0.68 TUBB4A (0.44) ARG1CYP2C19TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333794-A4 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2005-08-10 — — EP disclosed
US-6806372-B1 NEW ORANGE COUPLERS FOR USE IN OXIDATIVE HAIR DYEING COMPOSITIONS AND SYSTEMS THE PROCTER & GAMBLE COMPANY 2004-10-19 — — US disclosed
EP-1333794-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G-Clairol, Inc. (US) 2003-08-13 — — EP disclosed
US-6572665-B2 For use in hair coloring formulations CLAIROL INCORPORATED 2003-06-03 — — US disclosed
US-20020100126-A1 Novel coupler for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2002-08-01 — — US disclosed
WO-2002039969-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-05-23 — — 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020100126-A1 Novel coupler for use in oxidative hair dyeing CBR1, CBR3, PYCR1 ARG1 1308/4885CYP2C19 439/4885TUBB4A 1544/4885

“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.

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