Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5603083

C1=CCC([Ti+2]C2C(n3c4c(c5ccccc53)CCC4)=Cc3ccccc32)=C1.[Cl-].[Cl-]

nearest known ligand 0.33

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 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 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 SCHEMBL5601332 0.98 CA1 (0.33) CA1CA2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5602264 0.86
Hydrochloric Acid SCHEMBL5602265 0.83 CA1 (0.39) CA1CA2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5602651 0.82
Hydrochloric Acid SCHEMBL5601200 0.81 CA1 (0.40) CA1CA2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5600508 0.81 CA1 (0.32) CA1CA2MEN1KMT2A
Hydrochloric Acid SCHEMBL5601739 0.79 MEN1 (0.32) CA1CA2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5601462 0.78 CA1 (0.33) CA1CA2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5601175 0.78 CA1 (0.33) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL6447102 0.77 CA1 (0.33) CA1CA2MEN1KMT2AALDH1A1

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed