Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2801614

[Au+]=c1n(C2CCCCC2)ccn1C1CCCCC1.[Cl-]

nearest known ligand 0.38

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 19)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.33
PI4K2B Q8TCG2 3/20 0.33
PI4K2A Q9BTU6 3/20 0.33
PI4KB Q9UBF8 3/20 0.33
ADORA2A P29274 2/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR1 Q9BXC0 3/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA1 P30542 1/20 0.31
SLC18A3 Q16572 1/20 0.31
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 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 SCHEMBL16340905 0.75 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CYP3A4CYP2C9KMT2A
Hydrochloric Acid SCHEMBL20603062 0.74 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
Hydrochloric Acid SCHEMBL2801612 0.71 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL22188650 0.70 PI4KA (0.33) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL4226383 0.68 SLC18A3 (0.32) PI4KAPI4K2BPI4K2API4KBADORA2A
Carbon Monoxide SCHEMBL8152719 0.68 ALDH1A1 (0.34) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL20489211 0.68 SLC18A3 (0.32) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2801615 0.68 PI4KA (0.32) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL25002873 0.66 INMT (0.39) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL4228172 0.66 ALDH1A1 (0.32) PI4KAPI4K2BPI4K2API4KBADORA2A

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-7767841-B1 Gold complexes for catalysIS and preparation thereof UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. (US) 2010-08-03 US disclosed