Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2479388

Brc1ccc2c(c1)C([Zr+2]C1C=Cc3ccccc31)c1cc(Br)ccc1-2.[Cl-].[Cl-]

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 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
PTPRC P08575 1/20 0.33
SLC6A4 P31645 1/20 0.32

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 SCHEMBL673540 0.83 CYP2D6 (0.35) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL7272244 0.82 ELANE (0.36) CYP1A2EDNRBEDNRA
Methane SCHEMBL6558661 0.82 CYP2D6 (0.34)
Ethane SCHEMBL8540098 0.80 CYP2D6 (0.33) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL17698598 0.80 ALDH1A1 (0.38)
Hydrochloric Acid SCHEMBL137960 0.76 HTR2A (0.39) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL29424565 0.76 HTR2A (0.39) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL820052 0.74 HTR2A (0.38) SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL30533388 0.74 HTR2A (0.38) SLC6A2SLC6A3
SCHEMBL31357303 0.74 HTR2A (0.40) SLC6A2SLC6A3

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
EP-1963347-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2011-10-19 EP disclosed
US-7550544-B2 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-23 US disclosed
EP-1963347-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
WO-2007070041-A1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-06-21 WO disclosed
US-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS, INC. 2007-06-14 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-20070135595-A1 Halogen substituted metallocene compounds for olefin polymerization AP2M1, AP1M1, CPNE4 SLC6A2 4654/4885SLC6A3 3941/4885CYP1A2 2874/4885

“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.