Hydrochloric Acid

Hydrochloric Acid

SCHEMBL701514

[Ca+2].[Cl-].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
ALDH1A1 P00352 4/20 0.44
NOTUM Q6P988 1/20 0.38
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 4/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 3/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP1A2 P05177 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MMP3 P08254 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
SCHEMBL2313689 0.96 ALDH1A1 (0.47) ALDH1A1NOTUMMAPK1RAB9ANPC1
Iodide SCHEMBL701439 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Hydrochloric Acid SCHEMBL701515 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Bromide SCHEMBL699714 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Hydrochloric Acid SCHEMBL699430 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Bromide SCHEMBL699713 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Fluoride SCHEMBL699471 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Fluoride Ion SCHEMBL699470 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Iodide SCHEMBL701438 0.93 ALDH1A1 (0.44) ALDH1A1NOTUMMAPK1RAB9ANPC1
Benzene SCHEMBL31091106 0.93 ALDH1A1 (0.50) ALDH1A1NOTUMMAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1688424-B1 PHOSPHONIUM BORATE COMPOUND AND METHOD OF USING THE SAME HOKKO CHEM IND CO (JP) 2016-01-13 EP disclosed
US-8604249-B2 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2013-12-10 US disclosed
US-8124809-B2 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2012-02-28 US disclosed
US-20110237799-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2011-09-29 US disclosed
US-20110166389-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-07 US disclosed
US-7728176-B2 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2010-06-01 US disclosed
US-20090305877-A1 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2009-12-10 US disclosed
US-20070098616-A1 Process for producing phosponium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2007-05-03 US disclosed
EP-1688424-A1 PROCESS FOR PRODUCING PHOSPHONIUM BORATE COMPOUND, NOVEL PHOSPHONIUM BORATE COMPOUND, AND METHOD OF USING THE SAME HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2006-08-09 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 (3 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-20110166389-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same CA4, EPB41, MAPK4 ALDH1A1 4654/4885NOTUM 3101/4885MAPK1 218/4885
US-20110237799-A1 Process for Producing Phosphonium Borate Compound, Novel Phosphonium Borate Compound, and Method of Using the Same EPB41, CA4, RBBP4 ALDH1A1 4626/4885NOTUM 3464/4885MAPK1 278/4885
US-20090305877-A1 Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same PHOSPHO1, BRI3BP, CA4 ALDH1A1 3637/4885NOTUM 1496/4885MAPK1 350/4885

“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.