Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1921993

CCC[Zr+2](C1C=Cc2ccccc21)C1C=Cc2ccccc21.[Cl-].[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
▸ CHRM2 known ✓ P08172 1/20 0.33
▸ CHRM1 known ✓ P11229 1/20 0.33
▸ CHRM3 known ✓ P20309 1/20 0.33
▸ SLC6A2 known ✓ P23975 1/20 0.33
▸ SLC6A3 known ✓ Q01959 1/20 0.33
▸ HTR2A P28223 2/20 0.39
▸ HTR6 P50406 1/20 0.35
▸ SIGMAR1 Q99720 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33

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 SCHEMBL1905969 0.86 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL30353610 0.86 HTR2A (0.41) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL17133620 0.80 HTR6 (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
Hexane SCHEMBL8634861 0.78 HTR2A (0.35) HTR2AHTR6SIGMAR1KDM4ELMNA
Hexane SCHEMBL8629479 0.78 HTR2A (0.35) HTR2AHTR6SIGMAR1KDM4ELMNA
Ethane SCHEMBL8634251 0.77 HTR2A (0.37) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL29215999 0.76 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL7641660 0.76 HTR6 (0.33) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL7639448 0.76 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL30533389 0.75 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110137060-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS BASELL POLYOLEFIN GMBH (DE) 2011-06-09 — — US disclosed
EP-2328906-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS Basell Polyolefine GmbH (DE) 2011-06-08 — — EP disclosed
WO-2010022878-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS BASELL POLYOLEFINE GMBH (DE) 2010-03-04 — — 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-20110137060-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS NCL, ARSA, NASP CHRM2 1903/4885CHRM1 1487/4885CHRM3 1441/4885

“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.