Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9938486

CN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.CN(C)c1ccc(P(C2CCCCC2)C2CCCCC2)cc1.[Cl-].[Cl-].[Pd+2]

nearest known ligand 0.40

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
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 2/20 0.39
EPHX1 P07099 1/20 0.39
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SLC18A3 Q16572 1/20 0.35
ROCK2 O75116 1/20 0.35
NOX4 Q9NPH5 2/20 0.35
NOX1 Q9Y5S8 1/20 0.35
CYBB P04839 1/20 0.35
PSMB5 P28074 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL14742456 0.96 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRHSD17B10ALOX15
SCHEMBL16965741 0.95 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10ALOX15
SCHEMBL16965449 0.95 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10ALOX15
SCHEMBL20994189 0.94 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRHSD17B10ALOX15
Hydrochloric Acid SCHEMBL9938484 0.93 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRHSD17B10ALOX15
SCHEMBL29249166 0.91 MAPT (0.40) ALDH1A1KDM4ETSHRHSD17B10ALOX15
SCHEMBL1701442 0.90 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10ALOX15
SCHEMBL30594614 0.90 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRHSD17B10ALOX15
Formaldehyde SCHEMBL16965859 0.90 EPHX1 (0.40) ALDH1A1KDM4ETSHRHSD17B10ALOX15
Formaldehyde SCHEMBL16965494 0.90 EPHX1 (0.40) ALDH1A1KDM4ETSHRHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4490151-A1 SOLID FORMS, SALTS, AND PROCESSES OF PREPARATION OF A CDK2 INHIBITOR Incyte Corporation (US) 2025-01-15 EP disclosed
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP disclosed
WO-2023172921-A1 SOLID FORMS, SALTS, AND PROCESSES OF PREPARATION OF A CDK2 INHIBITOR INCYTE CORPORATION (US) 2023-09-14 WO disclosed
EP-3166923-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES SpecGx LLC (US) 2023-03-15 EP disclosed
US-20220389310-A1 LUMINESCENT MATERIALS AND METHODS THEREOF UNIVERSITY OF WASHINGTON (US) 2022-12-08 US disclosed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP disclosed
EP-3319941-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2021-12-29 EP disclosed
WO-2021062035-A1 LUMINESCENT MATERIALS AND METHODS THEREOF UNIVERSITY OF WASHINGTON (US) 2021-04-01 WO disclosed
US-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-11-12 US disclosed
EP-3392253-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2018-10-24 EP disclosed
EP-2861601-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2018-02-07 EP disclosed
EP-2859009-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 US disclosed
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES Selcia Ltd. (GB) 2017-07-06 US disclosed
EP-2861604-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-03-01 EP disclosed
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES MALLINCKRODT ENTERPRISES LLC 2017-01-12 US disclosed
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2016-08-04 US disclosed
WO-2016004413-A2 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO disclosed
WO-2013041106-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS 11CO FOR CARBONYLATION REACTIONS IN THE PREPARATION OF RADIOPHARMACEUTICALS FOR PET IMAGING AARHUS UNIVERSITET (DK) 2013-03-28 WO disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 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 (6 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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS ALDH1A1 1076/4885KDM4E 1883/4885TSHR 3768/4885
US-10472392-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS ALDH1A1 1076/4885KDM4E 1883/4885TSHR 3768/4885
US-20170008832-A1 TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES PNMT, CYP1B1, UGT2B7 ALDH1A1 462/4885KDM4E 618/4885TSHR 3233/4885
US-20160220633-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS ALDH1A1 1076/4885KDM4E 1883/4885TSHR 3768/4885
US-20170190734-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS ALDH1A1 1076/4885KDM4E 1883/4885TSHR 3768/4885
US-20220389310-A1 LUMINESCENT MATERIALS AND METHODS THEREOF TYR, GSTA2, CYBA ALDH1A1 479/4885KDM4E 3167/4885TSHR 4145/4885

“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.