Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2551576

CC(=Nc1ccccc1C(C)C)c1cccc(C(C)=Nc2c(C)cccc2C)n1.[Cl-].[Cl-].[Fe+2]

nearest known ligand 0.38

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
SLC6A2 known ✓ P23975 1/20 0.30
SIGMAR1 Q99720 9/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
GRIN2D O15399 3/20 0.37
GRIN3B O60391 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2C Q14957 3/20 0.37
GRIN3A Q8TCU5 3/20 0.37
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
KDM4E B2RXH2 1/20 0.32
PAX8 Q06710 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
LMNA P02545 2/20 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
SCHEMBL2552351 0.97 SIGMAR1 (0.40) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
SCHEMBL2552353 0.97 SIGMAR1 (0.40) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
SCHEMBL12266059 0.97 SIGMAR1 (0.40) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL2552439 0.96 SIGMAR1 (0.38) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL2551573 0.95 NOS3 (0.39) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
SCHEMBL2564391 0.94 SIGMAR1 (0.39) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
SCHEMBL2564389 0.94 SIGMAR1 (0.39) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
SCHEMBL12266367 0.94 SIGMAR1 (0.39) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL2552436 0.91 NOS3 (0.39) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL3291945 0.91 SIGMAR1 (0.44) SIGMAR1SCN5ASCN2AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175104-B2 Ethylene polymerization process and polyolefin E I DU PONT DE NEMOURS AND COMPANY (US) 2015-11-03 US disclosed
US-8916664-B2 Olefin polymerization process E I DU PONT DE NEMOURS AND COMPANY (US) 2014-12-23 US disclosed
EP-2552973-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS E.I. Du Pont De Nemours And Company (US) 2013-02-06 EP disclosed
EP-2552974-A1 PRODUCTION OF ALPHA-OLEFINS E.I. Du Pont De Nemours And Company (US) 2013-02-06 EP disclosed
EP-2552972-A1 IMPROVED ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E.I. Du Pont De Nemours And Company (US) 2013-02-06 EP disclosed
US-20120309915-A1 ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20120309916-A1 OLEFIN POLYMERIZATION PROCESS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
US-20120302809-A1 PRODUCTION OF ALPHA-OLEFINS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-11-29 US disclosed
WO-2011126784-A1 IMPROVED ETHYLENE POLYMERIZATION PROCESS AND POLYOLEFIN E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed
WO-2011126785-A1 PRODUCTION OF ALPHA-OLEFINS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 WO disclosed
WO-2011126787-A1 IMPROVED OLEFIN POLYMERIZATION PROCESS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-13 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-20120302809-A1 PRODUCTION OF ALPHA-OLEFINS ETFA, ETFB, HMOX1 SLC6A2 4220/4885SIGMAR1 341/4885SCN5A 4644/4885

“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.