Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5853853

C[SiH](C)[Hf+2](NC(=O)C1CCCCCCCCCCC1)C1c2ccccc2-c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.43

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 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.41
P2RX7 Q99572 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CETP P11597 1/20 0.38
HDAC3 O15379 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
CCKAR P32238 1/20 0.36
CCKBR P32239 1/20 0.36

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 SCHEMBL5854814 1.00 CYP2C19 (0.43) CYP2C19HPGDP2RX7SMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL5852743 0.99 CYP2C19 (0.41) CYP2C19HPGDP2RX7SMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL5852730 0.85 HPGD (0.43) CYP2C19HPGDSMN1; SMN2HDAC1HDAC2
Hydrochloric Acid SCHEMBL5853182 0.85 HPGD (0.43) CYP2C19HPGDSMN1; SMN2HDAC1HDAC2
Hydrochloric Acid SCHEMBL5853952 0.84 HPGD (0.40) CYP2C19HPGDSMN1; SMN2HDAC1HDAC2
Hydrochloric Acid SCHEMBL5853392 0.79 POLB (0.40) HPGDHDAC3ALDH1A1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL5855241 0.78 CYP2C19 (0.40) CYP2C19HPGDP2RX7SMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL5852999 0.78 CYP2C19 (0.40) CYP2C19HPGDP2RX7SMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL5853193 0.77 HTT (0.48) HPGDSMN1; SMN2ALDH1A1KDM4ERAB9A
Hydrochloric Acid SCHEMBL5854335 0.77 CYP2C19 (0.38) CYP2C19HPGDP2RX7SMN1; SMN2HDAC1

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