Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3143919

Cc1cccc(C)c1-[n+]1ccc(-c2cc[n+](-c3c(C)cccc3C)cc2)cc1.[Cl-].[Cl-]

nearest known ligand 0.39

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 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 1/20 0.35
▸ CYP2A6 P11509 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ SLC22A3 O75751 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PABPC1 P11940 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ EIF4H Q15056 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL5159445 0.98 CYP2A6 (0.38) CYP2A6CYP1A2TRPA1SLC22A2SLC22A1
Hydrochloric Acid SCHEMBL2463158 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ERAB9A
SCHEMBL19601136 0.80 CA12 (0.33) CA1CA2CA9
Hydrochloric Acid SCHEMBL2469452 0.79 RAB9A (0.33) CYP2A6CYP1A2SLC22A2SLC22A1SLC22A3
SCHEMBL19888150 0.71 ACHE (0.44) CYP2A6CYP1A2TRPA1SLC22A2SLC22A1
SCHEMBL6454170 0.71 PABPC1 (0.47) RAB9APABPC1APOBEC3AEIF4HAPOBEC3G
Hydrochloric Acid SCHEMBL1737122 0.71 GABRA1 (0.41) CYP1A2SLC22A2SLC22A1SLC22A3SLC6A4
Hydrochloric Acid SCHEMBL193608 0.70 PABPC1 (0.46) RAB9APABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL5154730 0.70 SLC6A4 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4PABPC1
SCHEMBL13397530 0.68 GABRA1 (0.43) CYP1A2SLC22A2SLC22A1SLC22A3SLC6A4

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
US-20100091353-A1 DISPLAY ELEMENT AND METHOD OF DRIVING THE SAME KONICA MINOLTA HOLDINGS, INC. (JP) 2010-04-15 — — US disclosed
EP-2096490-A1 DISPLAY ELEMENT AND METHOD OF DRIVING THE SAME Konica Minolta Holdings, Inc. (JP) 2009-09-02 — — EP disclosed
Send feedback