Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7927217

O=C(O[Ti+](OC(=O)c1ccccc1)C1C2=C(CCCC2)C2=C1CCCC2)c1ccccc1.[Cl-]

nearest known ligand 0.38

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
SLC6A2 known ✓ P23975 1/20 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
CHRM2 known ✓ P08172 1/20 0.33
CHRM1 known ✓ P11229 1/20 0.33
CHRM3 known ✓ P20309 1/20 0.33
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.36
MCL1 Q07820 1/20 0.36
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 2/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL7927651 0.94 TSHR (0.38) F2LMNATSHRMCL1KMT2A
Hydrochloric Acid SCHEMBL7928514 0.86 KDM4E (0.38) LMNAKMT2AMAPTMEN1ATM
Hydrochloric Acid SCHEMBL7924762 0.79 KCNN4 (0.41) SLC6A2SLC6A4SLC6A3CYP1A2CHRM2
Hydrochloric Acid SCHEMBL7927393 0.79 POLB (0.43) LMNAKMT2ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL7927214 0.77 KMT2A (0.34) F2LMNAMCL1KMT2AMEN1
SCHEMBL7924500 0.74 CHRNA7 (0.31) LMNATSHRMCL1KMT2ASLC6A2
SCHEMBL7927655 0.72 KMT2A (0.33) LMNATSHRMCL1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL7931019 0.71
SCHEMBL7927345 0.70 TSHR (0.39) F2LMNATSHRMCL1KMT2A
SCHEMBL7924736 0.70 TSHR (0.39) F2LMNATSHRMCL1KMT2A

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