Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3459214

C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4ccc5ccc6cccc7ccc4c5c67)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Au+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.61

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
▸ TERT O14746 6/20 0.61
▸ TOP1 P11387 3/20 0.38
▸ CYCS P99999 2/20 0.36
▸ ENPP2 Q13822 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
Hydrochloric Acid SCHEMBL3459971 0.89 TERT (0.53) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL15162760 0.89 TERT (0.55) TERTTOP1CYCSENPP2
SCHEMBL13183879 0.87 TERT (0.56) TERTTOP1CYCSENPP2
Hydrochloric Acid SCHEMBL3459974 0.87 TERT (0.53) TERTTOP1CYCSENPP2
SCHEMBL3461640 0.86 TERT (0.73) TERTTOP1CYCSENPP2
SCHEMBL3459959 0.85 TOP1 (0.53) TERTTOP1CYCSENPP2
SCHEMBL224502 0.84 TERT (0.39) TERTTOP1CYCSENPP2
SCHEMBL28296392 0.83 TERT (0.38) TERTTOP1CYCSENPP2
SCHEMBL13183875 0.80 TERT (0.40) TERTTOP1
Tmpyp4 SCHEMBL265519 0.79 TERT (0.97) TERTTOP1CYCSENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2230242-A1 Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents Johannes Kepler Universität (AT) 2010-09-22 — — EP claimed
EP-2230242-B1 Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents JOHANNES KEPLER UNI (AT) 2013-08-14 — — EP disclosed
EP-2230242-A1 Synthesis of new asymmetrically meso-substituted water-soluble porphyrins acting as cytostatic agents Johannes Kepler Universität (AT) 2010-09-22 — — EP disclosed
Send feedback