Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5565934

[Cl-].c1ccc(COc2ccc(C[n+]3cc(-c4ccccc4)cc(N4CCOCC4)n3)cc2)cc1

nearest known ligand 0.48

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
PRMT5 O14744 3/20 0.48
PRKDC P78527 5/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
DGAT1 O75907 1/20 0.44
FFAR1 O14842 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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 SCHEMBL5564730 0.88 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10KDM4EHPGD
Bromide SCHEMBL5565800 0.87 HTT (0.48) ALDH1A1TSHRHSD17B10KDM4EHPGD
Hydrochloric Acid SCHEMBL5565412 0.84 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10KDM4EHPGD
Bromide SCHEMBL5564610 0.83 ABL1 (0.43) PRKDCALDH1A1HTTMAPTCNR2
Bromide SCHEMBL5560418 0.82 HTT (0.43) ALDH1A1TSHRHSD17B10KDM4EHPGD
Bromide SCHEMBL5559706 0.82 MAPT (0.46) ALDH1A1TSHRHSD17B10KDM4EHTT
Hydrochloric Acid SCHEMBL5559797 0.81 MAPT (0.41) ALDH1A1TSHRHSD17B10KDM4EHTT
SCHEMBL6017175 0.80 CNR2 (0.47) ALDH1A1TSHRHSD17B10KDM4EHTT
Bromide SCHEMBL5559268 0.80 CYP1A2 (0.47) PRKDCALDH1A1TSHRHSD17B10KDM4E
Bromide SCHEMBL5560141 0.79 MAPT (0.41) PRKDCALDH1A1TSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7300932-B2 Pyrrolo[1,2-b]pyridazine derivatives JAPAN TOBACCO INC. (JP) 2007-11-27 US disclosed
EP-1653969-A4 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC (JP) 2006-12-20 EP disclosed
EP-1653969-A2 PYRROLO 1,2-B PYRIDAZINE DERIVATIVES Japan Tabacco Inc. (JP) 2006-05-10 EP disclosed
US-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism TULARIK INC. (US) 2005-03-31 US disclosed
WO-2005013907-A2 PYRROLO[1,2-B]PYRIDAZINE DERIVATIVES JAPAN TOBACCO INC. (JP) 2005-02-17 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-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism PC, ACACB, ACAT1 PRMT5 996/4885PRKDC 3241/4885ALDH1A1 978/4885

“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.