Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16457967

CCC1=CC=CC1([Ti+3])C(c1cccc(C)c1)c1cccc(C)c1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.33

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 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.33
PSEN1 P49768 3/20 0.32
PSEN2 P49810 3/20 0.32
APH1B Q8WW43 3/20 0.32
NCSTN Q92542 3/20 0.32
APH1A Q96BI3 3/20 0.32
PSENEN Q9NZ42 3/20 0.32
AOC3 Q16853 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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 SCHEMBL16459197 0.89 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL16458424 0.87 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL16459530 0.85
Hydrochloric Acid SCHEMBL16459310 0.84 TAAR1 (0.33) ACP3OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL16458367 0.84 LMNA (0.32)
Hydrochloric Acid SCHEMBL16459201 0.82 ACHE (0.33) ACP3PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL16459899 0.80 HDAC4 (0.31) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL16458453 0.79 PSEN1 (0.32) ACP3PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL16458765 0.78 ACP3 (0.31) ACP3OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL16459523 0.78 OPRM1 (0.38) ACP3OPRM1OPRD1OPRK1OPRL1

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 ACP3 1243/4885PSEN1 1202/4885PSEN2 1752/4885

“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.