Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7203527

CC1=C(c2cccc3ccccc23)C([Zr+2]C2C(c3cccc4ccccc34)=C(C)c3ccccc32)c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
CYP2A6 P11509 2/20 0.36
DHFR P00374 1/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 2/20 0.34
TDP2 O95551 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
GALK1 P51570 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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 SCHEMBL8604671 0.84 NPC1 (0.33) ALDH1A1NPC1RAB9ACASP3SENP8
Hydrochloric Acid SCHEMBL7202412 0.80 KDM4E (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8072623 0.78 ALDH1A1 (0.36) ALDH1A1CYP2A6DHFRMAPTALOX15
Hydrochloric Acid SCHEMBL7199527 0.77 ADRA2A (0.32) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL6928905 0.77 ADRA2A (0.32) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL8606718 0.76 MAPT (0.34) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7202409 0.74 NPC1 (0.34) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29612287 0.73 CA12 (0.36) ALDH1A1CYP2A6DHFRMAPTALOX15
Hydrochloric Acid SCHEMBL2525067 0.73 CA12 (0.36) ALDH1A1CYP2A6DHFRMAPTALOX15
Hydrochloric Acid SCHEMBL6558603 0.72 DNMT1 (0.40) ALDH1A1CYP2A6MAPTNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776909-B1 HIGH DENSITY ETHYLENE POLYMER AND METHOD FOR PRODUCING THE SAME ASAHI CHEMICAL IND (JP) 2003-11-19 EP disclosed
US-5973083-A HIGH IMPACT RESISTANCE AND HIGH STIFFNESS, EXCELLENT MOLDABILITY, HIGH MELT FLOWABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-10-26 US disclosed
EP-0776909-A1 HIGH-DENSITY ETHYLENIC POLYMER AND PROCESS FOR PRODUCING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-06-04 EP disclosed