Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6903320

CCc1ccc2c(c1)C(C)=CC2[Ti+2](=C(c1ccccc1)c1ccccc1)C1C=C(C)c2cc(CC)ccc21.[Cl-].[Cl-]

nearest known ligand 0.37

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
SLC6A2 known ✓ P23975 1/20 0.32
SLC6A3 known ✓ Q01959 1/20 0.32
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KAT6A Q92794 1/20 0.33
SLC6A4 P31645 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
BCL2 P10415 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 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 SCHEMBL6903756 0.82 ALDH1A1 (0.33) ALDH1A1NPC1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL6911528 0.76 ALDH1A1 (0.35) ALDH1A1NPC1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL6904515 0.72 SLC6A2 (0.34) KAT6ASLC6A2SLC6A4SLC6A3CYP1A2
Hydrochloric Acid SCHEMBL6907076 0.71 MYC (0.31)
Hydrochloric Acid SCHEMBL6909996 0.71 PDCD1 (0.36) LMNAMAPK1L3MBTL1EDNRBEDNRA
Hydrochloric Acid SCHEMBL6908519 0.68 EDNRB (0.35) NPC1LMNAMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6908249 0.68 HTR6 (0.33)
Hydrochloric Acid SCHEMBL2862076 0.67 NPC1 (0.31) ALDH1A1NPC1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL6909253 0.65 HTT (0.32) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL2860248 0.65 NPC1 (0.35) ALDH1A1NPC1LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed