Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2860820

CCc1ccc2c(c1)C([Zr+2](=C(c1ccccc1)c1ccccc1)C1C(C)=Cc3c(-c4ccc5ccccc5c4)cccc31)c1cc(CC)ccc1-2.[Cl-].[Cl-]

nearest known ligand 0.33

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 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
S1PR5 Q9H228 3/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
S1PR4 O95977 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 SCHEMBL2869197 0.91 NPC1 (0.32) EDNRBEDNRA
Hydrochloric Acid SCHEMBL2867528 0.90 S1PR5 (0.34) S1PR5AKR1C3AKR1C2S1PR4
Hydrochloric Acid SCHEMBL2862780 0.89 CTRC (0.32) CYP2A6AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2872237 0.87 NPC1 (0.30) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2868324 0.86
Hydrochloric Acid SCHEMBL2857285 0.85 NPC1 (0.31)
Hydrochloric Acid SCHEMBL2860865 0.80 LMNA (0.33)
Hydrochloric Acid SCHEMBL2872420 0.79 CNR2 (0.32)
Hydrochloric Acid SCHEMBL2867538 0.78 PDCD1 (0.31)
Hydrochloric Acid SCHEMBL2863992 0.77 NPC1 (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 4 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
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-20040214953-A1 Polyethylene composition and process for producing same TOSOH CORPORATION 2004-10-28 US disclosed