Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5003111

FC(F)(F)c1ccccc1CC1=CC([Cr+2])(Cc2ccccn2)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.39

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
PIP4K2C Q8TBX8 1/20 0.34
LMNA P02545 2/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AR P10275 1/20 0.31
EPHX2 P34913 1/20 0.31
KCNH2 Q12809 2/20 0.30
KCNA5 P22460 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
IDO1 P14902 1/20 0.30
KCNQ2 O43526 1/20 0.30
OPRK1 P41145 1/20 0.30
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
ALOX15 P16050 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 SCHEMBL5000186 0.81 ADRA2A (0.36) LMNAALDH1A1KDM4EKMT2ACYP1A2
Hydrochloric Acid SCHEMBL5003774 0.78 CHRNA7 (0.36) ALDH1A1NPC1RAB9AKDM4EKMT2A
SCHEMBL2130108 0.73 IDO1 (0.44) PIP4K2CLMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5003511 0.72 ALDH1A1 (0.35) LMNAALDH1A1NPC1RAB9AKCNH2
Hydrochloric Acid SCHEMBL5003114 0.70 PIP4K2C (0.35) PIP4K2CLMNAP2RX7ALDH1A1AR
SCHEMBL5009043 0.69 PIP4K2C (0.36) PIP4K2CLMNAP2RX7ALDH1A1AR
SCHEMBL5003769 0.64 PIP4K2C (0.36) PIP4K2CLMNAP2RX7ALDH1A1EPHX2
SCHEMBL28174656 0.64 IDO1 (0.47) ALDH1A1ARKDM4EIDO1TDP1
SCHEMBL30062625 0.63 KCNH2 (0.42) PIP4K2CLMNAP2RX7ALDH1A1NPC1
Hydrochloric Acid SCHEMBL5003115 0.63 LMNA (0.32) PIP4K2CLMNAP2RX7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824888-B1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2017-01-18 EP disclosed
US-20080269445-A1 Monocyclopentadienyl Complexes BASELL POLYOLEFINE GMBH (DE) 2008-10-30 US disclosed
EP-1824888-A1 MONOCYCLOPENTADIENYL COMPLEXES Basell Polyolefine GmbH (DE) 2007-08-29 EP disclosed
WO-2006063826-A1 MONOCYCLOPENTADIENYL COMPLEXES BASELL POLYOLEFINE GMBH (DE) 2006-06-22 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-20080269445-A1 Monocyclopentadienyl Complexes PCBP1, COASY, PORCN PIP4K2C 2418/4885LMNA 2672/4885P2RX7 4681/4885

“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.