Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7639013

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]C1C(C)=Cc2c(-c3ccccc3)cccc21.C[Si](C)(C)C(=O)N[InH]NC(=O)[Si](C)(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 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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 SCHEMBL7633904 0.88 NTRK1 (0.31) NTRK1NTRK3TSHRHSD17B10USP2
SCHEMBL7941876 0.83 NTRK1 (0.32) NTRK1NTRK3TSHRHSD17B10USP2
Hydrochloric Acid SCHEMBL2525982 0.83 PDCD1 (0.34)
Hydrochloric Acid SCHEMBL29564499 0.83 PDCD1 (0.34)
Hydrochloric Acid SCHEMBL7639506 0.81
Fluoride Ion SCHEMBL7636064 0.80 PDCD1 (0.34)
Hydrochloric Acid SCHEMBL7935429 0.80 ADRA2A (0.33)
Hydrochloric Acid SCHEMBL21980378 0.80 PDCD1 (0.33) HTR2BTMEM97
Hydrochloric Acid SCHEMBL6553574 0.79 PDCD1 (0.32)
Hydrochloric Acid SCHEMBL8633266 0.77 PDCD1 (0.30)

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 1 patent. 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