Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4320535

CC1=C2c3c(-c4ccc(C(F)(F)F)cc4)cccc3C1[Zr+2]C1C(C)=C(c3c(-c4ccc(C(F)(F)F)cc4)cccc31)[Si]2(C)C.[Cl-].[Cl-]

nearest known ligand 0.32

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 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.32
DRD2 P14416 1/20 0.31
MAPT P10636 1/20 0.31
KIF11 P52732 2/20 0.31
JAK2 O60674 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 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 SCHEMBL4315257 0.89 BRD4 (0.31) KIF11
Hydrochloric Acid SCHEMBL7942022 0.86 EDNRB (0.32)
Hydrochloric Acid SCHEMBL3692415 0.86 TRPV3 (0.31) BACE1DRD2JAK2
Hydrochloric Acid SCHEMBL6439096 0.84 PDCD1 (0.31) DRD2
Hydrochloric Acid SCHEMBL481289 0.84 PDCD1 (0.31) DRD2
Hydrochloric Acid SCHEMBL6464432 0.84 PDCD1 (0.31) DRD2
Hydrochloric Acid SCHEMBL3808738 0.81 BRD4 (0.31)
Hydrochloric Acid SCHEMBL7627498 0.81 EDNRB (0.30)
Hydrochloric Acid SCHEMBL6462630 0.81
SCHEMBL6065058 0.81 EDNRB (0.32) DRD2KIF11JAK2MAOAMAOB

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-7579416-B2 Catalyst system for olefin polymerization BASELL POLYOLEFINE GMBH (DE) 2009-08-25 US disclosed
US-20070149386-A1 Catalyst system for olefin polymerization EQUISTAR CHEMICALS, LP 2007-06-28 US disclosed