Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16458559

CCCCC1=CCC(C(c2ccccc2)c2ccccc2)=C1[Ti+3].[Cl-].[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
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTR2A P28223 1/20 0.33
OPRL1 P41146 2/20 0.32
KMT2A Q03164 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
ASAH1 Q13510 1/20 0.30
PTPN1 P18031 1/20 0.30

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 SCHEMBL16458694 0.91 SLC6A2 (0.31)
Hydrochloric Acid SCHEMBL16459339 0.85 CYP19A1 (0.30)
Hydrochloric Acid SCHEMBL16458220 0.85 SLC6A2 (0.32)
Hydrochloric Acid SCHEMBL16459008 0.80 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTR2AOPRL1
Hydrochloric Acid SCHEMBL16459183 0.77 CYP19A1 (0.30)
Hydrochloric Acid SCHEMBL10317638 0.74 TLR8 (0.30)
Hydrochloric Acid SCHEMBL12814944 0.74 SLC6A2 (0.31)
Hydrochloric Acid SCHEMBL16458349 0.73 SLC6A2 (0.35) KMT2AGAA
Hydrochloric Acid SCHEMBL12815528 0.72 TSHR (0.38) ALDH1A1POLB
Hydrochloric Acid SCHEMBL16458041 0.71 APOBEC3A (0.33) OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 ALDH1A1 524/4885POLB 1051/4885MAPT 3158/4885

“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.