Hydrochloric Acid

Hydrochloric Acid

SCHEMBL820012

CC1=Cc2c(ccc3ccccc23)C1[Ti+2]1(C2C(C)=Cc3c2ccc2ccccc32)CC1.[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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 5/20 0.35
CYP2A6 P11509 4/20 0.35
TSHR P16473 3/20 0.33
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 1/20 0.33
PKM P14618 1/20 0.33
KDM1A O60341 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A4 P31645 2/20 0.31
MTNR1A P48039 1/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31

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 SCHEMBL2531317 0.94 KDM4E (0.36) KDM4EALDH1A1CYP2A6TSHRCYP1A2
Hydrochloric Acid SCHEMBL6893962 0.94 KDM4E (0.36) KDM4EALDH1A1CYP2A6TSHRCYP1A2
Hydrochloric Acid SCHEMBL2535806 0.86 HTR1A (0.33) KDM4EALDH1A1CYP2A6HPGDMAPT
Hydrochloric Acid SCHEMBL6892478 0.81 KDM4E (0.36) KDM4EKDM1APOLB
Hydrochloric Acid SCHEMBL6891531 0.81 KDM4E (0.36) KDM4EKDM1APOLB
Hydrochloric Acid SCHEMBL6886360 0.81 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTALOX12
Hydrochloric Acid SCHEMBL6892592 0.81 HTR1A (0.32) ALDH1A1CYP2A6MAPTKDM1ASLC6A4
Hydrochloric Acid SCHEMBL6888702 0.80 KDM4E (0.38) KDM4EALDH1A1CYP2A6TSHRCYP1A2
Hydrochloric Acid SCHEMBL6894585 0.80 HTR1A (0.36) ALDH1A1CYP1A2HSD17B10HPGD
Hydrochloric Acid SCHEMBL6892826 0.79 KDM4E (0.39) KDM4EALDH1A1CYP1A2SLC6A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247510-B2 Copolymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-20110288250-A1 Copolymer and Production Process Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-24 US disclosed
US-8044155-B2 Coordination polymerization catalyst containing magnesium compound, titanium compound and organoaluminum compound STICHTING DUTCH POLYMER INSTITUTE (NL) 2011-10-25 US disclosed
US-8044144-B2 Resin composition, transparent film or sheet having elasticity recovering property, and wrap film PRIME POLYMER CO., LTD. (JP) 2011-10-25 US disclosed
US-8044159-B2 Homopolymer and copolymer, and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-25 US disclosed
US-7964691-B2 5,5-diallyl-2,2-dimethyl-1,3-dioxane as monomer units; polymerization catalysts; heat resistance SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-21 US disclosed
US-7956145-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-07 US disclosed
US-7943715-B2 Polymerization of 1,6-heptadiene in the presence of a catalyst formed by contacting a transition metal with a diimino aluminum or boron compound, giving a polymer structure of alternating ethylene and cyclopentene; superior balance between a heat resistance and workability SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
EP-1113026-B1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL CO (JP) 2009-12-09 EP disclosed
US-20090171054-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-02 US disclosed
US-20040224838-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer FUJITA MASAYUKI (JP) 2004-11-11 US disclosed
US-6784305-B2 DERIVATIVES OF ZIRCONOCENE DICHLORIDE IN WHICH THE TWO SUBSTITUTED INDENYL GROUPS ARE JOINED TO ONE ANOTHER VIA A BRIDGE CAN, OWING TO THEIR CONFORMATIONAL RIGIDITY, BE USED AS CATALYSTS FOR THE STEREOSPECIFIC POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-08-31 US disclosed
US-6664208-B1 For synthesis of highly stereoregular high molecular weight alphaolefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-16 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds EQUISTAR CHEMICALS, LP 2003-10-23 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20020143124-A1 Homogeneous type solid catalyst component or homogeneous type solid catalyst, process for production thereof and process for producing addition polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-03 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed
EP-0985673-A2 Modified aluminium oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-03-15 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 (2 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 SLC6A2 2028/4885SLC6A3 1338/4885KDM4E 2918/4885
US-20040224838-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer AHR, ALOX5AP, ALOX15B SLC6A2 3138/4885SLC6A3 3463/4885KDM4E 1762/4885

“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.