Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9065946

CC1=C([Ti+2]NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C=C1.[Cl-].[Cl-]

nearest known ligand 0.42

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 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
CYP17A1 P05093 4/20 0.39
CYP19A1 P11511 2/20 0.39
P2RX7 Q99572 2/20 0.39
HPGD P15428 1/20 0.38
HSD11B1 P28845 3/20 0.38
CNR2 P34972 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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 SCHEMBL7788066 0.77 LMNA (0.42) ALDH1A1LMNACYP17A1CYP19A1P2RX7
Hydrochloric Acid SCHEMBL9065650 0.72 P2RX7 (0.42) ALDH1A1LMNACYP17A1CYP19A1P2RX7
Hydrochloric Acid SCHEMBL2114600 0.71 ALDH1A1 (0.38) ALDH1A1LMNACYP17A1CYP19A1P2RX7
SCHEMBL3320998 0.60 HPGD (0.75) ALDH1A1LMNACYP17A1CYP19A1HPGD
SCHEMBL23220249 0.60 THRB (0.63) ALDH1A1LMNAMEN1KMT2A
SCHEMBL2841738 0.60 THRB (0.63) ALDH1A1LMNAMEN1KMT2A
SCHEMBL7702205 0.60 ALDH1A1 (0.59) ALDH1A1LMNACYP17A1CYP19A1HPGD
SCHEMBL13333022 0.59 ALDH1A1 (0.55) ALDH1A1CYP17A1CYP19A1HPGDHSD11B1
SCHEMBL7707848 0.59 CNR2 (0.65) ALDH1A1LMNAP2RX7CNR2
Hydrochloric Acid SCHEMBL7044171 0.59 HTT (0.50) ALDH1A1LMNACYP17A1CYP19A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5539056-A POLYPROPYLENE BLEND OF HIGH AND LOW MOLECULAR WEIGHT POLYMERS FOR HIGH STRENGTH FLEXIBLE HOSES, TUBES, AUTOMOBILE BUMPERS, GASKETS OR MEDICAL DEVICES EXXON CHEMICAL PATENTS INC. (US) 1996-07-23 US disclosed