Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16458402

Cc1cccc(C(c2cccc(C)c2)(c2cccc(C)c2)C2([Ti+3])C=CC(c3ccccc3)=C2)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 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
KIF11 P52732 5/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTPN5 P54829 1/20 0.33
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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 SCHEMBL16457987 0.89
Hydrochloric Acid SCHEMBL16458441 0.85
Hydrochloric Acid SCHEMBL16458755 0.81 ACHE (0.33) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16459199 0.79 KIF11 (0.35) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16458741 0.78 ACHE (0.31) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16458363 0.77
Hydrochloric Acid SCHEMBL16459069 0.77
Hydrochloric Acid SCHEMBL16459038 0.77 LMNA (0.33) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16458049 0.76 ACHE (0.39) CNR1CNR2KIF11CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL16458727 0.75 LMNA (0.34) KIF11CYP3A4CYP2D6CYP2C9CYP2C19

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 CNR1 3313/4885CNR2 3969/4885KIF11 4803/4885

“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.