Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5084267

CCCCc1ccc(C(c2ccc(CCCC)cc2)=[Zr+2](C2=CC=CC2)C2c3ccccc3-c3ccccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.36

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 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
TRPV1 Q8NER1 2/20 0.34
TAOK1 Q7L7X3 3/20 0.33
TAOK3 Q9H2K8 3/20 0.33
RARB P10826 1/20 0.33
PLK1 P53350 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
BCHE P06276 1/20 0.31
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31

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 SCHEMBL812052 0.88
Hydrochloric Acid SCHEMBL5081161 0.87 HTT (0.31)
Hydrochloric Acid SCHEMBL5077633 0.86 TP53 (0.35) RARBPLK1CA1CA2THRA
Hydrochloric Acid SCHEMBL2863878 0.84 PLK1 (0.32) PLK1
Hydrochloric Acid SCHEMBL2861858 0.84 PLK1 (0.34) RARBPLK1
Hydrochloric Acid SCHEMBL451011 0.84
Hydrochloric Acid SCHEMBL5077691 0.83 MEN1 (0.41)
Hydrochloric Acid SCHEMBL2865682 0.83 PLK1 (0.32) RARBPLK1
Hydrochloric Acid SCHEMBL2116587 0.82
Hydrochloric Acid SCHEMBL18280794 0.82 MEN1 (0.31)

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-20120135903-A1 LUBRICATING OIL COMPOSITION MITSUI CHEMICALS, INC. 2012-05-31 US disclosed
US-7393965-B2 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2008-07-01 US disclosed
US-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same MITSUI CHEMICALS, INC. (JP) 2006-07-20 US 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-20060161013-A1 Crosslinked metallocene compound for olefin polymerization and method of polymerizing olefin with the same PCNA, MACF1, PIN1 ACHE 2638/4885TRPV1 2834/4885TAOK1 2579/4885

“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.