Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3284366

CC(C)C1C=C(C(C)(C)C)C=C1[Zr+2](=C(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)C1c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.[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 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
ACLY P53396 1/20 0.31
NPSR1 Q6W5P4 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 SCHEMBL3277804 0.91 KIF11 (0.32)
Hydrochloric Acid SCHEMBL3276397 0.90
Hydrochloric Acid SCHEMBL3278391 0.90 ACHE (0.32) NPSR1
Hydrochloric Acid SCHEMBL3276978 0.89 NPSR1 (0.33) ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL3277978 0.89 MEN1 (0.32) NPSR1
Hydrochloric Acid SCHEMBL3277752 0.89
Hydrochloric Acid SCHEMBL3270225 0.88
Hydrochloric Acid SCHEMBL1235554 0.86 S1PR5 (0.32) ALDH1A1ACLY
Hydrochloric Acid SCHEMBL3279027 0.85 ACHE (0.33) NPSR1
Hydrochloric Acid SCHEMBL3273542 0.85

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
EP-1803742-B1 PROCESS FOR PRODUCING PROPYLENE POLYMER MITSUI CHEMICALS INC (JP) 2010-06-23 EP disclosed