Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7934579

COc1cccc2c1-c1ccccc1C2[Zr+2](C1=CC(C)=C(C)C1)=C(c1ccccc1)c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.38

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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
NR3C1 P04150 3/20 0.38
POLL Q9UGP5 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
APAF1 O14727 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP19A1 P11511 1/20 0.31
NFE2L2 Q16236 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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 SCHEMBL450411 0.86
Hydrochloric Acid SCHEMBL8823197 0.84 NR3C1 (0.38) NR3C1POLLLMNAMAPTHTT
Hydrochloric Acid SCHEMBL7945309 0.84 NSD2 (0.32) LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL8823180 0.82 MAPT (0.33) MAPTALDH1A1CYP19A1EDNRBEDNRA
Hydrochloric Acid SCHEMBL7715135 0.81 NR3C1 (0.39) NR3C1POLLHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL7934591 0.76
Hydrochloric Acid SCHEMBL451907 0.75 CYP19A1 (0.32) CYP19A1MEN1KMT2ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL7107825 0.73
Hydrochloric Acid SCHEMBL452948 0.72 ALDH1A1 (0.32) LMNAALDH1A1CYP19A1NPC1
Hydrochloric Acid SCHEMBL455913 0.72 NPC1 (0.35) LMNAMAPTALDH1A1NPC1SMN1; SMN2

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-6316558-B1 POLYMERIZING OLEFIN USING CATALYST COMPRISING TRANSITION METAL COMPOUND, COMPOUND CAPABLE OF A REACTING WITH TRANSITION METAL COMPOUND TO FORM A CATIONIC TRANSITION METAL COMPOUND, ORGANOMETALLIC TO FORM POLYOLEFIN TOSOH CORPORATION (JP) 2001-11-13 US disclosed
EP-0786466-A1 Transition metal compound, olefin polymerization catalyst comprising the compound, and process for production of olefin polymer Tosoh Corporation (JP) 1997-07-30 EP disclosed