Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16237201

Cc1ccc(O[Ti+3])c(-c2c(OC(=O)C(C)(C)C)ccc(C)c2C)c1C.[Cl-].[Cl-].[Cl-]

nearest known ligand 0.41

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 9)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.41
▸ LMNA P02545 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCEH1 Q6PIU2 1/20 0.35
▸ ADRB2 P07550 1/20 0.35

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
SCHEMBL16239375 0.91 ELANE (0.47) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL16239270 0.88 ELANE (0.42) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL16236329 0.84 PTPN1 (0.43) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL16236717 0.83 ELANE (0.41) ELANELMNAALDH1A1CYP3A4HIF1A
Hydrochloric Acid SCHEMBL16236422 0.83 PTPN1 (0.44) ELANELMNAALDH1A1NCEH1
Hydrochloric Acid SCHEMBL16237049 0.82 ELANE (0.39) ELANELMNAALDH1A1CYP3A4HIF1A
Hydrochloric Acid SCHEMBL16237202 0.82 ELANE (0.41) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL16236575 0.79 TYMS (0.40) ELANELMNAALDH1A1CYP3A4HIF1A
SCHEMBL16237045 0.78 ELANE (0.50) ELANEMAPT
SCHEMBL16237053 0.77 MEN1 (0.44) ELANELMNAALDH1A1CYP3A4HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714303-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2017-07-25 — — US disclosed
US-20160115261-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia, s.r.l. (IT) 2016-04-28 — — US disclosed
EP-2997050-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2016-03-23 — — EP disclosed
WO-2014184171-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2014-11-20 — — WO disclosed
EP-2803678-A1 Catalyst components for the polymerization of olefins Basell Poliolefine Italia S.r.l. (IT) 2014-11-19 — — EP disclosed
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