Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4889037

COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Cl-]

nearest known ligand 0.49

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
PTGS2 P35354 1/20 0.47
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 0.45
TUBB6 Q9BUF5 3/20 0.45
TUBB2B Q9BVA1 3/20 0.45
TUBB1 Q9H4B7 3/20 0.45
G6PD P11413 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44

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
Bromide SCHEMBL723263 0.97 PTGS2 (0.47) PTGS2TUBB4ATUBBTUBA3CTUBA1B
Phosphine SCHEMBL28014269 0.95 PTGS2 (0.46) PTGS2TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL4598739 0.83 SNCA (0.41) G6PDSMN1; SMN2MAPK1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10424163 0.83 LDHA (0.53) MAPTSMN1; SMN2KMT2AABCB1KDM4E
Bromide SCHEMBL9088261 0.83 KDM4E (0.36) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL30596298 0.81 LDHA (0.54) MAPTSMN1; SMN2KMT2AABCB1KDM4E
Bromide SCHEMBL29880790 0.80 LDHA (0.53) MAPTSMN1; SMN2KMT2AABCB1KDM4E
Bromide SCHEMBL4260842 0.80 LDHA (0.53) MAPTSMN1; SMN2KMT2AABCB1KDM4E
Hydrochloric Acid SCHEMBL5973630 0.79 TSHR (0.46) MAPK1ABCB1ALDH1A1CYP19A1SNCA
Bromide SCHEMBL7436731 0.78 TRAP1 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976388-A1 ANTIMICROBIAL SOLUTION COMPRISING A METALLIC SALT AND A SURFACTANT CTT GROUP INC. (CA) 2008-10-08 EP claimed
US-20080199502-A1 Antimicrobial Solution Comprising a Metallic Salt and a Surfactant CTT GROUP INC. (CA) 2008-08-21 US claimed
WO-2006105669-A1 ANTIMICROBIAL SOLUTION COMPRISING A METALLIC SALT AND A SURFACTANT CTT GROUP INC. (CA) 2006-10-12 WO claimed
US-20150201622-A1 NEW ANTIMICROBIAL COMPOSITIONS AND USES THEREOF CTT GROUP INC (CA) 2015-07-23 US disclosed
US-20120302759-A1 COMBRETASTATIN DERIVATIVE PREPARATION METHOD C/O SANOFI (FR) 2012-11-29 US disclosed
EP-1976388-A1 ANTIMICROBIAL SOLUTION COMPRISING A METALLIC SALT AND A SURFACTANT CTT GROUP INC. (CA) 2008-10-08 EP disclosed
US-20080199502-A1 Antimicrobial Solution Comprising a Metallic Salt and a Surfactant CTT GROUP INC. (CA) 2008-08-21 US disclosed
WO-2006105669-A1 ANTIMICROBIAL SOLUTION COMPRISING A METALLIC SALT AND A SURFACTANT CTT GROUP INC. (CA) 2006-10-12 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-20120302759-A1 COMBRETASTATIN DERIVATIVE PREPARATION METHOD PCSK9, PIK3CA, TYMP PTGS2 2986/4885TUBB4A 549/4885TUBB 1128/4885

“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.