Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3686128

COc1ccc(-c2cccc3c2C2=C(C(C)C)C3[Zr+2]C3C(C(C)C)=C(c4c(-c5ccc(OC)cc5)cccc43)[Si]2(C)C)cc1.[Cl-].[Cl-]

nearest known ligand 0.35

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
SYK P43405 3/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
ABL1 P00519 1/20 0.35
ABCB1 P08183 1/20 0.35
BCR P11274 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PTPN1 P18031 1/20 0.32
ENPP1 P22413 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 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 SCHEMBL3690069 0.86 SYK (0.31) SYKEDNRBEDNRA
Hydrochloric Acid SCHEMBL7614963 0.86
Hydrochloric Acid SCHEMBL3685363 0.83 EDNRB (0.34) EDNRBEDNRA
Hydrochloric Acid SCHEMBL3689419 0.83 BRD4 (0.30)
Hydrochloric Acid SCHEMBL3692415 0.82 TRPV3 (0.31) BACE1
Hydrochloric Acid SCHEMBL15329120 0.81
Hydrochloric Acid SCHEMBL4323900 0.76 JAK2 (0.31)
Hydrochloric Acid SCHEMBL3808738 0.76 BRD4 (0.31)
Hydrochloric Acid SCHEMBL3692671 0.75 ANPEP (0.32) TSHRCYP3A4
Hydrochloric Acid SCHEMBL3688831 0.74

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-20100056737-A1 Process for manufacturing high to ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2010-03-04 US disclosed
US-20070105712-A1 Process for manufacturing ultra high molecular weight polymers using novel bridged metallocene catalysts NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2007-05-10 US disclosed