Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902183

CCc1ccc(C2=Cc3c(CC)cccc3C2[Zr+2]C2C(c3ccc(CC)s3)=Cc3c(CC)cccc32)s1.[Cl-].[Cl-]

nearest known ligand 0.30

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 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2B6 P20813 1/20 0.30
CYP2C19 P33261 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 SCHEMBL6897988 0.91 CYP1A2 (0.30) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
Hydrochloric Acid SCHEMBL6904979 0.87 CHRM2 (0.31)
Hydrochloric Acid SCHEMBL6903078 0.86 TP53 (0.35) MEN1NPC1RAB9AKMT2ACYP1A2
Hydrochloric Acid SCHEMBL6903081 0.85
Hydrochloric Acid SCHEMBL6902459 0.84
Hydrochloric Acid SCHEMBL6901256 0.83 CYP2E1 (0.35) MEN1NPC1RAB9AKMT2ACYP1A2
Hydrochloric Acid SCHEMBL6898188 0.82 EDNRB (0.31)
Hydrochloric Acid SCHEMBL6900360 0.81 MEN1 (0.33) MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL6902651 0.81
Hydrochloric Acid SCHEMBL6902508 0.80 MEN1 (0.33) MEN1NPC1RAB9AKMT2A

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
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed