Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2829185

CN(C)CCN(C)C.[Cl-].[Cl-].[Ni+2]

nearest known ligand 0.61

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
CHRM2 known ✓ P08172 1/20 0.30
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
CA12 O43570 1/20 0.61
CA2 P00918 1/20 0.61
CA3 P07451 1/20 0.61
CA4 P22748 1/20 0.61
CA6 P23280 1/20 0.61
CA5A P35218 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
CA14 Q9ULX7 1/20 0.61
CA5B Q9Y2D0 1/20 0.61
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.47
PRMT3 O60678 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28208260 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Fluoride Ion SCHEMBL31514491 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL8310418 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Iodide SCHEMBL2829753 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL10631334 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL6743343 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Bromide SCHEMBL2830320 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL4527188 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL28720129 0.90 CA12 (0.61) CA12CA2CA3CA4CA6
Hydrochloric Acid SCHEMBL1370752 0.90 CA12 (0.61) CA12CA2CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100185019-A1 CATALYST COMPOSITION AND PROCESS FOR PRODUCING CROSS-COUPLED COMPOUND USING SAME TOSOH FINECHEM CORPORATION (JP) 2010-07-22 US disclosed
EP-2168680-A1 CATALYST COMPOSITION AND METHOD FOR PRODUCING CROSS-COUPLING COMPOUND USING THE SAME Kyoto University (JP) 2010-03-31 EP 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-20100185019-A1 CATALYST COMPOSITION AND PROCESS FOR PRODUCING CROSS-COUPLED COMPOUND USING SAME PYM1, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 30/4885

“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.