Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5549899

CC[N+]1(C(O[PH2]=O)(OC(C)(C)C)OC(C)(C)C)CCCC1CNc1nc(Nc2ccc(OC)c(F)c2)nc(NC2CCCCCC2)n1.[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 20)

geneUniProtsupporting neighboursconfidence
GALR1 P47211 6/20 0.42
BCL6 P41182 1/20 0.38
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
GALR2 O43603 6/20 0.33
PDE5A O76074 1/20 0.32
AXL P30530 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL5553391 0.99 GALR1 (0.42) GALR1BCL6MAPTMEN1HTT
Hydrochloric Acid SCHEMBL5549895 0.91 GALR1 (0.42) GALR1BCL6MAPTMEN1HTT
SCHEMBL5553387 0.90 GALR1 (0.42) GALR1BCL6MAPTMEN1HTT
Hydrochloric Acid SCHEMBL5555562 0.90 GALR1 (0.38) GALR1BCL6MAPTMEN1HTT
SCHEMBL5554491 0.89 GALR1 (0.39) GALR1BCL6MAPTMEN1HTT
SCHEMBL4838523 0.82 GALR1 (0.48) GALR1BCL6MAPTMEN1HTT
Hydrochloric Acid SCHEMBL5555561 0.82 GALR1 (0.38) GALR1BCL6MAPTMEN1HTT
Iodide SCHEMBL5553524 0.81 GALR1 (0.47) GALR1BCL6MAPTMEN1HTT
SCHEMBL5554484 0.81 GALR1 (0.39) GALR1BCL6MAPTMEN1HTT
Hydrochloric Acid SCHEMBL5549836 0.81 GALR1 (0.44) GALR1BCL6MAPTMEN1HTT

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-7268134-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-09-11 US claimed