Hydrochloric Acid

Hydrochloric Acid

SCHEMBL718400

CCc1cc2c(-c3ccccc3)ccccc-2c1[Ti+2]1(c2c(CC)cc3c(-c4ccccc4)ccccc2-3)CC1.[Cl-].[Cl-]

nearest known ligand 0.35

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
PTGS2 P35354 1/20 0.35
DPP4 P27487 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KMT2A Q03164 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PTGS1 P23219 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 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
Hydrochloric Acid SCHEMBL722083 0.81 ESR2 (0.38) PTGS2PDCD1CD274KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27629904 0.75 PTGS2 (0.38) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL30112562 0.72 BACE1 (0.44) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL27747972 0.72 PTGS2 (0.41) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL29800393 0.69 DPP4 (0.50) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL31124517 0.69 DPP4 (0.50) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL1727355 0.69 DPP4 (0.50) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL328862 0.68 DPP4 (0.60) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL31261742 0.68 DPP4 (0.60) PTGS2DPP4PDCD1CD274KMT2A
SCHEMBL28689603 0.68 HDAC4 (0.48) DPP4PDCD1CD274KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357765-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-8288490-B2 Process for producing catalyst component for addition polymerization SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-16 US disclosed
US-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120053311-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 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-20120053306-A1 PROCESS FOR PRODUCING CATALYST COMPONENT FOR ADDITION POLYMERIZATION PPOX, SOD1, AP1M1 PTGS2 1694/4885DPP4 3226/4885PDCD1 2950/4885

“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.