Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5852840

CCCCC(CC)C(=O)N[Ti+2](C1=CC(C)=CC1)[SiH](C)C.[Cl-].[Cl-]

nearest known ligand 0.40

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 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.40
CA1 P00915 5/20 0.40
LMNA P02545 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 SCHEMBL5854366 0.81 CA2 (0.41) CA2CA1LMNAMAPK1MEN1
Hydrochloric Acid SCHEMBL5854996 0.75 CA2 (0.40) CA2CA1LMNAMAPK1MEN1
Hydrochloric Acid SCHEMBL5854385 0.74 CA2 (0.41) CA2CA1LMNAMAPK1MEN1
Hydrochloric Acid SCHEMBL5855039 0.71 CA2 (0.40) CA2CA1LMNAMAPK1MEN1
SCHEMBL5326388 0.63 CA2 (0.70) CA2CA1LMNAMAPK1MEN1
SCHEMBL2106254 0.63 CA2 (0.70) CA2CA1LMNAMAPK1MEN1
SCHEMBL12245070 0.63 LMNA (0.67) CA2CA1LMNAMAPK1MEN1
SCHEMBL8460512 0.61 CA2 (0.73) CA2CA1LMNAMAPK1MEN1
SCHEMBL17363775 0.60 CA2 (0.66) CA2CA1LMNAMAPK1MEN1
SCHEMBL8054453 0.60 CA2 (1.00) CA2CA1LMNAMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed