Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7979134

C=CC[N+](C)(CC=C)CCCCCC[N+](C)(CC=C)CC=C.[Cl-].[Cl-]

nearest known ligand 0.41

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 2/20 0.36
APEX1 P27695 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NFKB1 P19838 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PMP22 Q01453 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
BBOX1 O75936 1/20 0.36
DNM1 Q05193 3/20 0.35
HTT P42858 1/20 0.31
PLA2G1B P04054 1/20 0.30
HSP90AA1 P07900 1/20 0.30
RAD52 P43351 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
SCHEMBL13779370 0.97 KMT2A (0.38) APEX1NPSR1MEN1KMT2ANFKB1
SCHEMBL5550564 0.97 KMT2A (0.38) APEX1NPSR1MEN1KMT2ANFKB1
Bromide SCHEMBL5551175 0.95 MEN1 (0.41) APEX1NPSR1MEN1KMT2ANFKB1
Bromide SCHEMBL5550573 0.95 MEN1 (0.41) APEX1NPSR1MEN1KMT2ANFKB1
Bromide SCHEMBL27245942 0.92 BBOX1 (0.38) APEX1NPSR1MEN1KMT2ANFKB1
Hydrochloric Acid SCHEMBL139393 0.91 DNM1 (0.50) KMT2ATSHRDNM1HTTPLA2G1B
Hydrochloric Acid SCHEMBL6697657 0.91 DNM1 (0.50) KMT2ATSHRDNM1HTTPLA2G1B
Hydrochloric Acid SCHEMBL9820762 0.91 DNM1 (0.50) KMT2ATSHRDNM1HTTPLA2G1B
Hydrochloric Acid SCHEMBL10871817 0.91 DNM1 (0.50) KMT2ATSHRDNM1HTTPLA2G1B
Hydrochloric Acid SCHEMBL9123236 0.91 DNM1 (0.50) KMT2ATSHRDNM1HTTPLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4225445-A ENHANCED OIL RECOVERY CALGON CORPORATION (US) 1980-09-30 US claimed
US-6271264-B1 REMOVING BILE ACIDS FROM PATIENTS GELTEX PHARMACEUTICALS, INC. 2001-08-07 US disclosed
WO-2000032656-A2 POLYMERS CONTAINING SPIROBICYCLIC AMMONIUM MOIETIES AND USE THEREOF GELTEX PHARMACEUTICALS, INC. (US) 2000-06-08 WO disclosed
US-4225445-A ENHANCED OIL RECOVERY CALGON CORPORATION (US) 1980-09-30 US disclosed