Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5853107

CC1=CCC([Ti+2](NC(=O)c2cc(C)cc(C)c2)[SiH](C)C)=C1.[Cl-].[Cl-]

nearest known ligand 0.34

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 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
GAA P10253 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
POLB P06746 2/20 0.33
TPMT P51580 1/20 0.32
AKT1 P31749 2/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 2/20 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 SCHEMBL5853390 0.88 HDAC8 (0.46) POLBNPC1RAB9ASMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5853387 0.84 SMN1; SMN2 (0.37) GAAPOLBALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL5852845 0.80 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL5856712 0.80 TAS1R3 (0.40) THRBGAATAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL5853383 0.79 HDAC8 (0.41) GAASMN1; SMN2
Hydrochloric Acid SCHEMBL5854999 0.78 HPGD (0.38) POLBALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5852786 0.78
Hydrochloric Acid SCHEMBL5853379 0.76 KCNK3 (0.39) GAAALDH1A1
Hydrochloric Acid SCHEMBL5854170 0.76
Hydrochloric Acid SCHEMBL5852544 0.75 NPSR1 (0.38) GAAALDH1A1NPC1RAB9ASMN1; SMN2

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