Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6905950

CC1=Cc2cc(-c3ccccc3)ccc2C1[Ti+2](=C(c1ccccc1)c1ccccc1)C1C(C)=Cc2cc(-c3ccccc3)ccc21.[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
KMO O15229 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
EPHX1 P07099 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
GRM5 P41594 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX5 P09917 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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 SCHEMBL6904461 0.86 SMN1; SMN2 (0.33) POLBLMNA
Hydrochloric Acid SCHEMBL6907014 0.86 KDM1A (0.32) MAPTTDP1ALOX5
Hydrochloric Acid SCHEMBL4059545 0.72 MAOA (0.33) MAPTEPHX1GAAALOX5
Hydrochloric Acid SCHEMBL4092756 0.72 MAOA (0.33) MAPTEPHX1GAAALOX5
Hydrochloric Acid SCHEMBL4094393 0.72 MAOA (0.33) MAPTHDAC8GAAALOX5
Hydrochloric Acid SCHEMBL27505811 0.71 MAOA (0.32) MAPTGAAALOX5
Hydrochloric Acid SCHEMBL18112870 0.71 ESR1 (0.33) MAPTGAAALOX5
Hydrochloric Acid SCHEMBL6909394 0.70 KMO (0.34) KMOMAPTPOLBCTDSP1PRSS1
SCHEMBL27479178 0.70 MAOA (0.34) MAPTGAAALOX5
Hydrochloric Acid SCHEMBL966428 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed