Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3156607

CC(C)c1cccc(C(C)C)c1N1C=[N+](c2ccccc2O)CC1.[Cl-]

nearest known ligand 0.40

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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 0.34
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
DPP4 P27487 3/20 0.39
ANPEP P15144 2/20 0.39
TSHR P16473 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 2/20 0.34
HIF1A Q16665 2/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2C P28335 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 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
SCHEMBL18527603 0.94 GABRA1 (0.37) GABRA1GABRB2DPP4ANPEPTSHR
Hydrochloric Acid SCHEMBL1609146 0.86 ALDH1A1 (0.36) DPP4ANPEPTSHRNR1H2NR1H3
Hydrochloric Acid SCHEMBL23326872 0.83 ANPEP (0.36) GABRA1GABRB2DPP4ANPEPTSHR
Hydrochloric Acid SCHEMBL739370 0.80 DPP4 (0.33) GABRA1GABRB2DPP4ANPEPTSHR
Hydrochloric Acid SCHEMBL1727633 0.79 DPP4 (0.32) GABRA1GABRB2DPP4ANPEPTSHR
SCHEMBL819459 0.79 DPP4 (0.33) GABRA1GABRB2DPP4ANPEPTSHR
Hydrochloric Acid SCHEMBL3156599 0.78 IDH1 (0.33) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL23326869 0.78 GABRA1 (0.36) GABRA1GABRB2DPP4ANPEPTSHR
SCHEMBL2149891 0.77 DPP4 (0.33) GABRA1GABRB2DPP4ANPEPTSHR
SCHEMBL12503773 0.77 DPP4 (0.33) GABRA1GABRB2DPP4ANPEPTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1582534-B1 Olefin polymerization catalyst and polymerization process ROHM & HAAS (US) 2010-02-10 EP disclosed
US-7098278-B2 Olefin polymerization catalyst and polymerization process ROHM AND HAAS COMPANY (US) 2006-08-29 US disclosed
US-20060128911-A1 Olefin polymerization catalyst and polymerization process GOODALL BRIAN L 2006-06-15 US disclosed
US-7037987-B2 Olefin polymerization catalyst and polymerization process ROHN AND HAAS COMPANY (US) 2006-05-02 US disclosed
EP-1582534-A1 Olefin polymerization catalyst and polymerization process ROHM AND HAAS COMPANY (US) 2005-10-05 EP disclosed
US-20050215738-A1 Olefin polymerization catalyst and polymerization process ROHM AND HAAS COMPANY 2005-09-29 US disclosed