Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2867528

CC1=Cc2c(-c3ccc4ccccc4c3)cccc2C1[Zr+2](=C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21.[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 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
S1PR5 Q9H228 12/20 0.34
S1PR4 O95977 10/20 0.34
SLC6A4 P31645 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
GSTP1 P09211 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
CTRC Q99895 1/20 0.31

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 SCHEMBL2862780 0.93 CTRC (0.32) AKR1C3AKR1C2CTRC
Hydrochloric Acid SCHEMBL2868324 0.90
Hydrochloric Acid SCHEMBL2860820 0.90 CYP1A2 (0.33) S1PR5S1PR4AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2867538 0.88 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL7929729 0.84 PDCD1 (0.33)
Hydrochloric Acid SCHEMBL2860268 0.84 EPHX1 (0.32) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2870984 0.82
Hydrochloric Acid SCHEMBL2872420 0.82 CNR2 (0.32)
Hydrochloric Acid SCHEMBL2862733 0.78 CA12 (0.33) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2869197 0.78 NPC1 (0.32)

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