Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2553046

C[n+]1ccccc1-c1c2nc(c(-c3cccc[n+]3C)c3ccc([nH]3)c(-c3cccc[n+]3C)c3nc(c(-c4cccc[n+]4C)c4ccc1[nH]4)C=C3)C=C2.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn]

nearest known ligand 0.52

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 2)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.52
▸ TOP1 P11387 2/20 0.38

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
SCHEMBL17668308 0.98 TERT (0.53) TERTTOP1
Hydrochloric Acid SCHEMBL2555716 0.97 TERT (0.52) TERTTOP1
SCHEMBL450416 0.97 TERT (0.54) TERTTOP1
Hydrochloric Acid SCHEMBL2555721 0.95 TERT (0.53) TERTTOP1
Hydrochloric Acid SCHEMBL2553050 0.94 TERT (0.51) TERTTOP1
SCHEMBL23631759 0.91 TERT (0.45) TERT
SCHEMBL23631762 0.91 TERT (0.45) TERT
SCHEMBL4552175 0.90 TERT (0.58) TERTTOP1
SCHEMBL4271237 0.89 TERT (0.46) TERT
SCHEMBL4263240 0.89 TERT (0.46) TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130142784-A1 METHOD OF TREATING TUMOR RESISTANT TO HERCEPTIN OR PACLITAXEL USING FOXM1 INHIBITORS AND DETECTING SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-06-06 — — US claimed
WO-2011127297-A1 METHOD OF TREATING TUMOR RESISTANT TO HERCEPTIN OR PACLITAXEL USING FOXM1 INHIBITORS AND DETECTING SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-13 — — WO claimed
US-20130142784-A1 METHOD OF TREATING TUMOR RESISTANT TO HERCEPTIN OR PACLITAXEL USING FOXM1 INHIBITORS AND DETECTING SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-06-06 — — US disclosed
WO-2011127297-A1 METHOD OF TREATING TUMOR RESISTANT TO HERCEPTIN OR PACLITAXEL USING FOXM1 INHIBITORS AND DETECTING SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-13 — — WO disclosed
Send feedback