Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16239243

Cc1cccc(O[Ti+3])c1-c1c(C)cccc1OC(=O)c1ccccc1.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.51

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
SLC6A3 known ✓ Q01959 1/20 0.48
POLB P06746 1/20 0.51
TOP1 P11387 1/20 0.50
KMT2A Q03164 7/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 2/20 0.47
HSD17B10 Q99714 2/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ESR2 Q92731 1/20 0.47
PRSS1 P07477 1/20 0.43

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
SCHEMBL16237011 0.91 TOP1 (0.58) POLBTOP1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL16237107 0.84 POLB (0.47) POLBTOP1KMT2AMAPTSMN1; SMN2
SCHEMBL16236552 0.84 ESR1 (0.59) POLBTOP1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL16236074 0.83 POLB (0.49) POLBTOP1KMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL16239244 0.82 TOP1 (0.50) POLBTOP1KMT2AMAPTSMN1; SMN2
SCHEMBL1284160 0.79 KMT2A (0.63) POLBTOP1KMT2AMAPTSMN1; SMN2
SCHEMBL16236627 0.78 HSD17B10 (0.49) POLBTOP1KMT2AMAPTSMN1; SMN2
SCHEMBL6349146 0.78 POLB (0.73) POLBTOP1KMT2AMAPTSMN1; SMN2
SCHEMBL15283463 0.76 KMT2A (0.56) POLBTOP1KMT2AMAPTSMN1; SMN2
SCHEMBL6350444 0.76 KMT2A (0.57) POLBTOP1KMT2AMAPTSMN1; SMN2

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
EP-2997050-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2018-01-17 EP disclosed
US-9714303-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2017-07-25 US disclosed
US-20160115261-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia, s.r.l. (IT) 2016-04-28 US disclosed
EP-2803678-A1 Catalyst components for the polymerization of olefins Basell Poliolefine Italia S.r.l. (IT) 2014-11-19 EP disclosed