Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2534898

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Ti+2]1(C2C(C)=Cc3c(C(C)C)cc(C(C)C)cc32)CC1.[Cl-].[Cl-]

nearest known ligand 0.32

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 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 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 SCHEMBL8602910 0.81
Hydrochloric Acid SCHEMBL5369683 0.80 GABRA1 (0.32) GABRA1GABRB2
Hydrochloric Acid SCHEMBL9421533 0.76 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL5583459 0.76 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL27463390 0.76 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL29612295 0.75 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL1685534 0.75 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL27478549 0.75 FABP4 (0.33) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL8604522 0.75 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4
Hydrochloric Acid SCHEMBL385357 0.75 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4

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
US-8044155-B2 Coordination polymerization catalyst containing magnesium compound, titanium compound and organoaluminum compound STICHTING DUTCH POLYMER INSTITUTE (NL) 2011-10-25 US disclosed
EP-1716185-B1 Titanocene-based catalyst system STICHTING DUTCH POLYMER INST (NL) 2009-10-21 EP disclosed
US-20080234452-A1 TITANOCENE-BASED CATALYST SYSTEM STICHTING DUTCH POLYMER INSTITUTE (NL) 2008-09-25 US disclosed
US-20070179049-A1 Titanocenen-based catalyst system STICHTING DUTCH POLYMER INSTITUTE (NL) 2007-08-02 US disclosed
EP-1564226-A1 Titanocene-based catalyst system Stichting Dutch Polymer Institute (NL) 2005-08-17 EP disclosed