Hydrochloric Acid

Hydrochloric Acid

SCHEMBL12814718

CC(C)(C)C(c1ccccc1)(c1ccccc1)C1([Ti+3])C=CC=C1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.35

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
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX15 P16050 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPKAPK2 P49137 1/20 0.30
KCNN4 O15554 2/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 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 SCHEMBL16457870 0.81 MAPK1 (0.34) MAPK1ALDH1A1TAAR1ALOX15ESR1
Hydrochloric Acid SCHEMBL10319129 0.80 MAPK1 (0.37) MAPK1ALDH1A1TAAR1ALOX15ESR1
Hydrochloric Acid SCHEMBL16459777 0.80 KCNN4 (0.37) MAPK1ALDH1A1TAAR1ALOX15ESR1
Hydrochloric Acid SCHEMBL16459185 0.78
Hydrochloric Acid SCHEMBL10323769 0.77 KCNN4 (0.35) MAPK1ALDH1A1KCNN4TSHR
Hydrochloric Acid SCHEMBL16458812 0.76
Hydrochloric Acid SCHEMBL16458448 0.75
Hydrochloric Acid SCHEMBL16457887 0.74
Hydrochloric Acid SCHEMBL16459389 0.74
Hydrochloric Acid SCHEMBL16459239 0.73 MAPK1 (0.32) MAPK1

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
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 MAPK1 400/4885ALDH1A1 524/4885TAAR1 794/4885

“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.