Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5604299

CC1=Cc2c(-c3cc4ccccc4c4ccccc34)cccc2C1[Zr+2]C1c2ccccc2-c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.35

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 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.31
CYP1A2 P05177 1/20 0.31
NISCH Q9Y2I1 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 SCHEMBL7762679 0.93 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10TSHRMAPK1
Hydrochloric Acid SCHEMBL7759995 0.88 NPC1 (0.30) ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL2525067 0.84 CA12 (0.36) ALDH1A1HPGDMAPK1L3MBTL1NISCH
Hydrochloric Acid SCHEMBL29612287 0.84 CA12 (0.36) ALDH1A1HPGDMAPK1L3MBTL1NISCH
Hydrochloric Acid SCHEMBL3680021 0.83 MAOA (0.38) CYP1A2
Fluoride Ion SCHEMBL7639237 0.81 CA12 (0.36) ALDH1A1HPGDMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL8674061 0.79 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10TSHRMAPK1
Hydrochloric Acid SCHEMBL6553574 0.79 PDCD1 (0.32)
Hydrochloric Acid SCHEMBL17698617 0.78 CA12 (0.33) ALDH1A1HPGDMAPK1L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL2522861 0.78 ALDH1A1 (0.33) ALDH1A1HPGDHSD17B10TSHRMAPK1

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-7160949-B2 Olefin block copolymers, processes for producing the same and uses thereof MITSUI CHEMICALS, INC. (JP) 2007-01-09 US disclosed
US-20030055179-A1 Olefin block copolymers processes for producing the same and uses thereof MITSUI CHEMICALS, INC. (JP) 2003-03-20 US disclosed