Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7039656

C[Ti+2](C)(NC(=O)C1CCCCC1)c1cccc2c1c1c(c3ccccc32)C=CC1.[Cl-].[Cl-].[SiH4]

nearest known ligand 0.36

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
TSHR P16473 5/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
P2RX7 Q99572 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 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 SCHEMBL7037371 1.00 TSHR (0.35) TSHRALDH1A1KMT2AHTTCYP2C19
Hydrochloric Acid SCHEMBL7041468 0.82 SMN1; SMN2 (0.33) TSHRALDH1A1KMT2AHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7040765 0.82 SMN1; SMN2 (0.33) TSHRALDH1A1KMT2AHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7170831 0.77
Hydrochloric Acid SCHEMBL7039902 0.75 GAA (0.35) TSHRALDH1A1KMT2AHTTCYP2C19
Hydrochloric Acid SCHEMBL7041974 0.75 GAA (0.35) TSHRALDH1A1KMT2AHTTCYP2C19
Hydrochloric Acid SCHEMBL7171475 0.74
Hydrochloric Acid SCHEMBL7246995 0.72 SMN1; SMN2 (0.38) TSHRALDH1A1KMT2AHTTCYP2C19
Hydrochloric Acid SCHEMBL7241242 0.72 SMN1; SMN2 (0.38) TSHRALDH1A1KMT2AHTTCYP2C19
Hydrochloric Acid SCHEMBL7239359 0.70 SMN1; SMN2 (0.37) TSHRALDH1A1KMT2AHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017701-B1 CYCLOPENTAPHENANTHRENYL TITANIUM COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2003-03-19 EP claimed
US-6323294-B1 CONTACTING C.SUB.2-100,000 OLEFIN/S UNDER POLYMERIZATION CONDITIONS WITH CATALYST SYSTEM COMPRISING METAL COMPLEX AND ACTIVATING COCATALYST OR REACTION PRODUCT OF METAL COMPLEX AND COCATALYST TO FORM ADDITION POLYMER THE DOW CHEMICAL COMPANY 2001-11-27 US claimed
EP-1017701-B1 CYCLOPENTAPHENANTHRENYL TITANIUM COMPLEXES AND POLYMERIZATION PROCESS DOW GLOBAL TECHNOLOGIES INC (US) 2003-03-19 EP disclosed
US-6323294-B1 CONTACTING C.SUB.2-100,000 OLEFIN/S UNDER POLYMERIZATION CONDITIONS WITH CATALYST SYSTEM COMPRISING METAL COMPLEX AND ACTIVATING COCATALYST OR REACTION PRODUCT OF METAL COMPLEX AND COCATALYST TO FORM ADDITION POLYMER THE DOW CHEMICAL COMPANY 2001-11-27 US disclosed
US-6150297-A Cyclopentaphenanthrenyl metal complexes and polymerization process THE DOW CHEMICAL COMPANY (US) 2000-11-21 US disclosed