Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5853669

Cc1cccc(C)c1C(=O)N[Ti+2](C1c2ccccc2-c2ccccc21)[SiH](c1ccccc1)c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.38

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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
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
SLC6A9 P48067 6/20 0.34
PPIA P62937 4/20 0.33
MYC P01106 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 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 SCHEMBL5852827 0.92 KMT2A (0.38) TAS1R3TAS1R1TAS1R2KMT2AMEN1
Hydrochloric Acid SCHEMBL5855370 0.89 HPGD (0.40) L3MBTL1KMT2AMYCPOLBHPGD
Hydrochloric Acid SCHEMBL5854699 0.86 TAS1R3 (0.40) TAS1R3TAS1R1TAS1R2L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5853726 0.85 MEN1 (0.39) L3MBTL1KMT2AMEN1LMNAPOLB
Hydrochloric Acid SCHEMBL5856454 0.84 LMNA (0.36) KMT2ALMNAPPIA
Hydrochloric Acid SCHEMBL5852780 0.84 MEN1 (0.39) KMT2AMEN1LMNAPPIAPOLB
Hydrochloric Acid SCHEMBL5856502 0.83 SMN1; SMN2 (0.48) KMT2AMEN1LMNAPOLB
Hydrochloric Acid SCHEMBL5855558 0.83 POLB (0.37) KMT2AMEN1LMNAPPIAPOLB
Hydrochloric Acid SCHEMBL5855150 0.80 LMNA (0.36) KMT2ALMNA
Hydrochloric Acid SCHEMBL5854920 0.80 CCKBR (0.35) KMT2AMEN1LMNAPOLB

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