Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2870400

CC1=CC([Zr+2](=C(c2ccccc2)c2ccccc2)C2c3ccccc3-c3ccccc32)c2ccc(C)cc21.[Cl-].[Cl-]

nearest known ligand 0.34

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 16)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
ATM Q13315 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 1/20 0.30
PGR P06401 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 SCHEMBL2871022 0.93 MEN1 (0.32) PPIAMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2867898 0.90 MEN1 (0.32) PPIAMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2863292 0.90 MEN1 (0.32) PPIAMEN1KMT2ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2861167 0.90 PGR (0.31) MEN1KMT2ALMNAPGR
Hydrochloric Acid SCHEMBL2866150 0.86 CNR1 (0.33)
Hydrochloric Acid SCHEMBL2862076 0.86 NPC1 (0.31) LMNANPC1RAB9A
Hydrochloric Acid SCHEMBL2861627 0.85 NPC1 (0.32) MEN1KMT2ACYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL2864615 0.81 MYC (0.33)
Hydrochloric Acid SCHEMBL2863956 0.81
Hydrochloric Acid SCHEMBL2861422 0.81 HTR7 (0.31)

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-1964860-B1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER TOSOH CORP (JP) 2017-07-05 EP disclosed
EP-1473323-B1 Polyethylene composition and process for producing same TOSOH CORP (JP) 2016-04-27 EP disclosed
US-7838611-B2 Ethylene polymer, catalyst for ethylene polymer production, and method for producing ethylene polymer TOSOH CORPORATION (JP) 2010-11-23 US disclosed
US-7678866-B2 Polyethylene composition and process for producing same TOSOH CORPORATION (JP) 2010-03-16 US disclosed
US-20090137755-A1 ETHYLENE POLYMER, CATALYST FOR ETHYLENE POLYMER PRODUCTION, AND METHOD FOR PRODUCING ETHYLENE POLYMER TOSOH CORPORATION (JP) 2009-05-28 US disclosed
US-20040214953-A1 Polyethylene composition and process for producing same TOSOH CORPORATION 2004-10-28 US disclosed