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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10689263

[Cl-].[Cl-].[Ni+2].c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

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 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ESR1 P03372 4/20 0.35
▸ ESR2 Q92731 4/20 0.35
▸ CALM1 P0DP23 1/20 0.32
▸ ALDH1A1 P00352 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 SCHEMBL197143 1.00 CYP3A4 (0.45) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL9806651 0.97 TDP1 (0.47) CYP3A4TDP1KDM4EGAAESR1
SCHEMBL31242726 0.97 CYP3A4 (0.47) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL9815434 0.97 TDP1 (0.47) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL11017606 0.94 CYP3A4 (0.45) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL10603455 0.94 CYP3A4 (0.45) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL1450045 0.94 CYP3A4 (0.45) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL17008412 0.94 CYP3A4 (0.45) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL19460486 0.94 CYP3A4 (0.45) CYP3A4TDP1KDM4EGAAESR1
Hydrochloric Acid SCHEMBL9803750 0.94 CYP3A4 (0.45) CYP3A4TDP1KDM4EGAAESR1

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-0257419-A1 Process for the preparation of antibacterial 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-03-02 — — EP disclosed