Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2862733

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Zr+2](=C(c1ccccc1)c1ccccc1)C1c2cc(C)ccc2-c2ccc(C)cc21.[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
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32

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 SCHEMBL2860268 0.92 EPHX1 (0.32) CA12CA1CA2CA9AKR1C3
Hydrochloric Acid SCHEMBL2858361 0.89 AKR1C3 (0.30) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2872237 0.89 NPC1 (0.30) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2872420 0.88 CNR2 (0.32)
Hydrochloric Acid SCHEMBL2862780 0.86 CTRC (0.32) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2860218 0.85
Hydrochloric Acid SCHEMBL2866783 0.80 LMNA (0.33)
Hydrochloric Acid SCHEMBL2868525 0.80 LMNA (0.31)
Hydrochloric Acid SCHEMBL2867528 0.78 S1PR5 (0.34) AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL2870781 0.78 LMNA (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 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-20090137755-A1 ETHYLENE POLYMER, CATALYST FOR ETHYLENE POLYMER PRODUCTION, AND METHOD FOR PRODUCING ETHYLENE POLYMER TOSOH CORPORATION (JP) 2009-05-28 US disclosed
EP-1473323-A1 Polyethylene composition and process for producing same Tosoh Corporation (JP) 2004-11-03 EP disclosed