Hydrochloric Acid

Hydrochloric Acid

SCHEMBL136776

[Cl-].c1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

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
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
APP P05067 1/20 0.51
FDPS P14324 2/20 0.50
PTPRA P18433 1/20 0.50
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HRH1 P35367 1/20 0.45
HIF1A Q16665 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41

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
Bromide SCHEMBL6484310 0.98 APP (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL936436 0.98 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Iodide SCHEMBL9693917 0.98 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL5249711 0.96 APP (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL9466518 0.96 APP (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL9814518 0.79 CYP2C9 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Iodide SCHEMBL18110427 0.79 HRH1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1739222 0.78 HIF1A (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Bromide SCHEMBL10446668 0.77 MAPK14 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Bromide SCHEMBL15635739 0.77 HIF1A (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077289-B2 Cyclosporins modified on the MeBmt sidechain by heterocyclic rings ALLERGAN, INC. (US) 2018-09-18 US disclosed
EP-3156387-B1 METHOD OF PREPARING INDENE DERIVATIVES AQUINOX PHARMACEUTICALS CANADA INC (CA) 2018-07-25 EP disclosed
EP-3277704-A1 CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS ALLERGAN, INC. (US) 2018-02-07 EP disclosed
EP-3156387-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS Aquinox Pharmaceuticals (Canada) Inc. (CA) 2017-04-19 EP disclosed
WO-2016160362-A1 CYCLOSPORINS MODIFIED ON THE MEBMT SIDECHAIN BY HETEROCYCLIC RINGS ALLERGAN, INC. (US) 2016-10-06 WO disclosed
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings ALLERGAN, INC. 2016-10-06 US disclosed
EP-2277848-B1 Indene derivatives as pharmaceutical agents AQUINOX PHARMACEUTICALS CANADA INC (CA) 2016-09-14 EP disclosed
US-20150307426-A9 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2015-10-29 US disclosed
US-20140371252-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS AQUINOX PHARMACEUTICALS INC. (CA) 2014-12-18 US disclosed
EP-2590985-B1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2014-05-14 EP disclosed
US-5015473-A Beta-lactamase inhibitors PFIZER INC. (US) 1991-05-14 US disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 US disclosed
EP-0239874-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their application HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 EP disclosed
EP-0150433-B1 PROCESS FOR THE PREPARATION OF INSATURATED KETONES BASF Aktiengesellschaft (DE) 1986-12-30 EP disclosed
EP-0150433-A2 Process for the preparation of insaturated ketones BASF Aktiengesellschaft (DE) 1985-08-07 EP disclosed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 EP disclosed
EP-0049776-B1 4-QUINOLINE METHANE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF SUBSTANCES WITH A PHARMACOLOGICAL ACTIVITY BASF Aktiengesellschaft (DE) 1985-07-31 EP disclosed
US-4429130-A Pyrid-2'-yl-2-trifluoromethyl quinol-4-ylmethanes BASF AKTIENGESELLSCHAFT (DE) 1984-01-31 US disclosed
EP-0049776-A2 4-Quinoline methane derivatives, their preparation and their use in the preparation of substances with a pharmacological activity BASF Aktiengesellschaft (DE) 1982-04-21 EP 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 (4 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-20150307426-A9 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS INSRR, INSR, IDO1 GRIN2D 4228/4885GRIN3B 3593/4885GRIN1 3342/4885
US-10077289-B2 Cyclosporins modified on the MeBmt sidechain by heterocyclic rings CHP1, UACA, CRYAB GRIN2D 4751/4885GRIN3B 3507/4885GRIN1 4442/4885
US-20160289271-A1 Cyclosporins Modified on the MeBmt Sidechain by Heterocyclic Rings CHP1, UACA, CRYAB GRIN2D 4751/4885GRIN3B 3507/4885GRIN1 4442/4885
US-20140371252-A1 INDENE DERIVATIVES AS PHARMACEUTICAL AGENTS INSRR, INSR, IDO1 GRIN2D 4228/4885GRIN3B 3593/4885GRIN1 3342/4885

“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.