Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7604175

Cc1ccc(C)c2c1-c1ccccc1C2[Zr+2]C1c2ccccc2-c2c(C)ccc(C)c21.[Cl-].[Cl-]

nearest known ligand 0.33

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 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 1/20 0.32
GPR3 P46089 1/20 0.31
HTR2A P28223 1/20 0.31

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 SCHEMBL5359299 0.80 HTR7 (0.36) ALDH1A1TSHRGPR3HTR2A
Hydrochloric Acid SCHEMBL5347487 0.80 MYC (0.37) ALDH1A1TSHRGPR3HTR2A
Methane SCHEMBL6557709 0.79 HTR7 (0.35) ALDH1A1TSHRGPR3HTR2A
Fluoride Ion SCHEMBL1131213 0.76 HTR7 (0.36) ALDH1A1TSHRGPR3HTR2A
Hydrochloric Acid SCHEMBL7604666 0.74 HTR2A (0.41) NPC1ALDH1A1CYP3A4TSHRMAPK1
Ethane SCHEMBL8163438 0.72 GPR3 (0.44) TSHRGPR3HTR2A
SCHEMBL7607095 0.71 HTR2A (0.42) NPC1ALDH1A1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL618216 0.71 GPR3 (0.42) TSHRGPR3HTR2A
Hydrochloric Acid SCHEMBL29912111 0.69 GPR3 (0.34) GPR3HTR2A
Hydrochloric Acid SCHEMBL30338176 0.69 GPR3 (0.34) GPR3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP disclosed
EP-0524624-A2 Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1993-01-27 EP disclosed