Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7039902

CC1=CC(C)c2c1c1ccccc1c1cccc([Ti+2](C)(C)NC(=O)C3CCCCC3)c21.[Cl-].[Cl-].[SiH4]

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
GAA P10253 2/20 0.35
P2RX7 Q99572 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 3/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 3/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 3/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31

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 SCHEMBL7041974 1.00 GAA (0.35) GAAP2RX7SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7040765 0.82 SMN1; SMN2 (0.33) GAAP2RX7SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7041468 0.82 SMN1; SMN2 (0.33) GAAP2RX7SMN1; SMN2HPGDHTT
SCHEMBL8032409 0.78 GAA (0.36) GAAP2RX7SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7171532 0.78
Hydrochloric Acid SCHEMBL7174111 0.76
Hydrochloric Acid SCHEMBL7039656 0.75 TSHR (0.35) GAAP2RX7SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7037371 0.75 TSHR (0.35) GAAP2RX7SMN1; SMN2HPGDHTT
Hydrochloric Acid SCHEMBL7242340 0.74 P2RX7 (0.38) GAAP2RX7SMN1; SMN2HPGDMAPT
Hydrochloric Acid SCHEMBL7238543 0.68 SMN1; SMN2 (0.37) GAAP2RX7SMN1; SMN2HPGDHTT

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