Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16459181

CCCC1=CC([Ti+3])(C(c2cccc(C)c2)c2cccc(C)c2)C=C1.[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 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
OPRL1 P41146 2/20 0.32
CYP19A1 P11511 1/20 0.31
AOC3 Q16853 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
ACP3 P15309 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 SCHEMBL16459338 0.92 PSEN1 (0.33) OPRM1OPRD1OPRK1OPRL1CYP19A1
Hydrochloric Acid SCHEMBL16459103 0.89 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1AOC3
Hydrochloric Acid SCHEMBL16459516 0.86
Hydrochloric Acid SCHEMBL16458693 0.86 OPRL1 (0.34) OPRM1OPRD1OPRK1OPRL1CYP19A1
Hydrochloric Acid SCHEMBL16457850 0.82 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1ACP3
Hydrochloric Acid SCHEMBL16458868 0.80 ACHE (0.34) OPRM1OPRD1OPRK1OPRL1AOC3
Hydrochloric Acid SCHEMBL16458558 0.78 OPRL1 (0.36) OPRM1OPRD1OPRK1OPRL1CYP19A1
Hydrochloric Acid SCHEMBL16458985 0.78 CNR1 (0.30)
Hydrochloric Acid SCHEMBL16458978 0.77 HDAC4 (0.32) CYP19A1AOC3PSEN1PSEN2APH1B
Hydrochloric Acid SCHEMBL16458662 0.76 ACP3 (0.32) OPRM1OPRD1OPRK1OPRL1AOC3

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 OPRM1 2129/4885OPRD1 2727/4885OPRK1 2972/4885

“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.