Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7638320

C1=C(N2CCCC2)c2ccccc2C1[Zr+2]C1C=C(N2CCCC2)c2ccccc21.C[Si](C)(C)C(=O)N[InH]NC(=O)[Si](C)(C)C.[Cl-].[Cl-]

nearest known ligand 0.33

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 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 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 SCHEMBL7634422 0.87 TSHR (0.33) TSHRALDH1A1MAPT
SCHEMBL7943317 0.83 TSHR (0.33) TSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL7632839 0.78 APAF1 (0.33) TSHRALDH1A1MAPT
SCHEMBL7638394 0.76 KMT2A (0.32) MAPT
Hydrochloric Acid SCHEMBL7632725 0.74 APAF1 (0.33) TSHRALDH1A1MAPT
SCHEMBL7943322 0.72 TSHR (0.34) TSHRALDH1A1MAPT
SCHEMBL7946701 0.72 TSHR (0.34) TSHRALDH1A1MAPT
SCHEMBL7638323 0.70 ALDH1A1 (0.34) TSHRALDH1A1MAPT
SCHEMBL7634428 0.70 ALDH1A1 (0.34) TSHRALDH1A1MAPT
SCHEMBL7946696 0.70 TSHR (0.33) TSHRALDH1A1MAPT

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-20020098973-A1 Bridged gallium or indium containing group 4 metal complexes CAMPBELL RICHARD E (US) 2002-07-25 US disclosed
WO-2001046201-A1 GALLIUM OR INDIUM-BRIDGED GROUP 4 METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 2001-06-28 WO disclosed