Hydrochloric Acid

Hydrochloric Acid

SCHEMBL459651

COc1sc(CCOP(=O)(O)OP(=O)(O)O)c(C)[n+]1Cc1cnc(C)nc1N.[Cl-]

nearest known ligand 0.68

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 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.66
▸ TKT P29401 4/20 0.58
▸ PPP5C P53041 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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 SCHEMBL788235 0.88 LMNA (0.67) LMNATKTPPP5CTDP1HSP90AA1
SCHEMBL30249786 0.88 LMNA (0.66) LMNATKTPPP5CTDP1HSP90AA1
Hydrochloric Acid SCHEMBL15320267 0.87 LMNA (0.65) LMNATKTPPP5CTDP1HSP90AA1
Hydrochloric Acid SCHEMBL1533810 0.86 PPP5C (0.67) LMNATKTPPP5CTDP1HSP90AA1
SCHEMBL2512165 0.85 PPP5C (0.68) LMNATKTPPP5CTDP1HSP90AA1
SCHEMBL31477791 0.83 PPP5C (0.70) LMNATKTPPP5CTDP1HSP90AA1
Hydrochloric Acid SCHEMBL3908684 0.82 PPP5C (0.64) LMNATKTPPP5CTDP1HSP90AA1
Hydrochloric Acid SCHEMBL5940670 0.82 HSP90AA1 (0.57) LMNATKTPPP5CTDP1HSP90AA1
Cocarboxylase SCHEMBL8923435 0.81 LMNA (0.98) LMNATKTPPP5CTDP1HSP90AA1
Cocarboxylase SCHEMBL21111 0.81 LMNA (0.98) LMNATKTPPP5CTDP1HSP90AA1

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
US-20130198900-A1 \"THIAMINE PYROPHOSPHATE (TPP) RIBOSWITCH MUTANTS PRODUCING VITAMIN B1 ENRICHED FOOD AND FEED CROPS\ BEN-GURION UNIVERSITY OF THE NEGEV (IL) 2013-08-01 — — US disclosed
EP-2614150-A1 THIAMINE PYROPHOSPHATE (TPP) RIBOSWITCH MUTANTS PRODUCING VITAMIN B1 ENRICHED FOOD AND FEED CROPS Yeda Research and Development Co. Ltd. (IL) 2013-07-17 — — EP disclosed
WO-2012032522-A1 THIAMINE PYROPHOSPHATE (TPP) RIBOSWITCH MUTANTS PRODUCING VITAMIN B1 ENRICHED FOOD AND FEED CROPS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-03-15 — — WO disclosed
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