Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3320523

C[n+]1cc2c(O)c(O)ccc2c2ccc3cc(O)c(O)cc3c21.[Cl-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
ACHE known ✓ P22303 4/20 0.43
RAC1 P63000 9/20 1.00
CDC42 P60953 8/20 1.00
BAD Q92934 5/20 0.51
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
HPGD P15428 5/20 0.45
MAPK1 P28482 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
RGS17 Q9UGC6 2/20 0.45
GMNN O75496 2/20 0.45
POLB P06746 2/20 0.45
BLM P54132 2/20 0.45
PMP22 Q01453 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL13334159 0.98 RAC1 (1.00) RAC1CDC42BADALDH1A1MAPT
SCHEMBL9681626 0.83 RAC1 (0.79) RAC1CDC42BADALDH1A1MAPT
SCHEMBL15413681 0.82 RAC1 (0.71) RAC1CDC42BADALDH1A1MAPT
Hydrochloric Acid SCHEMBL8709312 0.78 RAC1 (0.70) RAC1CDC42BADALDH1A1MAPT
Hydrochloric Acid SCHEMBL3321466 0.78 RAC1 (1.00) RAC1CDC42BADALDH1A1MAPT
Hydrochloric Acid SCHEMBL8709205 0.78 RAC1 (0.70) RAC1CDC42BADALDH1A1MAPT
SCHEMBL13334193 0.76 RAC1 (1.00) RAC1CDC42BADALDH1A1MAPT
SCHEMBL9679413 0.76 RAC1 (0.69) RAC1CDC42BADALDH1A1MAPT
SCHEMBL9679427 0.76 RAC1 (0.69) RAC1CDC42BADALDH1A1MAPT
SCHEMBL8712325 0.72 RAC1 (0.61) RAC1CDC42BADALDH1A1MAPT

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-2185521-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES Exonhit Therapeutics SA (FR) 2010-05-19 EP claimed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US claimed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 WO claimed
EP-2185521-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES Exonhit Therapeutics SA (FR) 2010-05-19 EP disclosed
US-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2010-05-13 US disclosed
WO-2009007457-A2 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES EXONHIT THERAPEUTICS SA (FR) 2009-01-15 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-20100120810-A1 COMPOUNDS AND METHODS FOR MODULATING RHO GTPASES RAC1, RAC2, RAC3 ACHE 4129/4885RAC1 1/4885CDC42 5/4885

“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.