Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3356796

CC1=C(c2cccc3ccccc23)c2c3cccc2[Si](C)(C)c2cccc4c2C(c2cccc5ccccc25)=C(C)C4[Ti+2]C13.[Cl-].[Cl-]

nearest known ligand 0.35

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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 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.35
GSK3B P49841 1/20 0.32
ADK P55263 1/20 0.32
ALDH1A1 P00352 2/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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 SCHEMBL969634 0.82 DHFR (0.32) DHFRGSK3BADK
Hydrochloric Acid SCHEMBL7586032 0.82 DHFR (0.32) DHFRGSK3BADK
Hydrochloric Acid SCHEMBL5616484 0.81 HTR7 (0.36) DHFRGSK3BADKALDH1A1MTNR1A
SCHEMBL7598615 0.80 DHFR (0.32) DHFR
Hydrochloric Acid SCHEMBL5616525 0.80 DHFR (0.35) DHFRGSK3BADKALDH1A1MTNR1A
Hydrochloric Acid SCHEMBL2537764 0.76
SCHEMBL797329 0.74 TLR8 (0.32) DHFR
Hydrochloric Acid SCHEMBL1686826 0.73 ALDH1A1 (0.34) DHFRALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL7597805 0.72 KDM4E (0.31) KDM4E
SCHEMBL6887185 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410231-B2 Production process of olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20100029868-A1 PRODUCTION PROCESS OF OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-04 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-20080234450-A1 DIENE POLYMER AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-25 US disclosed
US-7211537-B2 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2007-05-01 US disclosed
US-20050197471-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2005-09-08 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-20050197471-A1 Modified aluminum oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer AHR, ALOX5AP, ALOX15B DHFR 4167/4885GSK3B 2429/4885ADK 736/4885

“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.