Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7930549

O=C(O[Ti+2]C1C2=C(CCCC2)C2=C1CCCC2)C(c1ccccc1)(c1ccccc1)c1ccccc1.[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 11)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
KCNN4 O15554 1/20 0.41
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
SLC6A4 P31645 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
SCHEMBL7919238 0.95 KCNN4 (0.42) KCNN4KEAP1NFE2L2CHRM2CHRM3
Hydrochloric Acid SCHEMBL7930903 0.80 KCNN4 (0.36) KCNN4
Hydrochloric Acid SCHEMBL7930546 0.79 KCNN4 (0.35) KCNN4
Hydrochloric Acid SCHEMBL7919308 0.79 KMT2A (0.38) CHRM2CHRM4CHRM1CHRM3SLC6A2
SCHEMBL7927359 0.77 KCNN4 (0.35) KCNN4
SCHEMBL7925479 0.77 KCNN4 (0.41) KCNN4KEAP1NFE2L2CHRM2CHRM3
Hydrochloric Acid SCHEMBL7924762 0.76 KCNN4 (0.41) KCNN4KEAP1NFE2L2CHRM2CHRM4
SCHEMBL7919241 0.75 KCNN4 (0.36) KCNN4CHRM3
SCHEMBL7927204 0.75 KCNN4 (0.43) KCNN4KEAP1NFE2L2CHRM2CHRM3
SCHEMBL7924675 0.75 KCNN4 (0.43) KCNN4KEAP1NFE2L2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed