Hydrochloric Acid

Hydrochloric Acid

SCHEMBL193019

O=P(O)(O)CC[n+]1ccc(-c2cc[n+](Cc3ccccc3C[n+]3ccc(-c4cc[n+](CCP(=O)(O)O)cc4)cc3)cc2)cc1.[Cl-].[Cl-].[Cl-].[Cl-]

nearest known ligand 0.40

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 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 2/20 0.40
▸ BCHE P06276 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GGPS1 O95749 1/20 0.35
▸ ACP3 P15309 1/20 0.33
▸ TSHR P16473 1/20 0.33

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 SCHEMBL210855 0.86 MEN1 (0.38) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL1226951 0.84 MEN1 (0.39) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL13851328 0.84 ALDH1A1 (0.53) ALDH1A1KDM4ERAB9AMEN1KMT2A
Bromide SCHEMBL3361424 0.83 ALDH1A1 (0.51) ALDH1A1KDM4ERAB9AMEN1KMT2A
Bromide SCHEMBL918125 0.82 MEN1 (0.38) BCHEACHEALDH1A1KDM4ERAB9A
SCHEMBL17384186 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ERAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL600629 0.80 ACP3 (0.38) ALDH1A1MEN1KMT2AGGPS1ACP3
Hydrochloric Acid SCHEMBL600596 0.80 — —
Hydrochloric Acid SCHEMBL3364505 0.78 MEN1 (0.40) ALDH1A1KDM4ERAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL602361 0.77 S1PR2 (0.48) ALDH1A1KDM4ERAB9APOLBTSHR

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-8786932-B2 Advanced electrode structures and electrochromic devices NTERA, INC. (US) 2014-07-22 — — US disclosed
US-20120038967-A1 ADVANCED ELECTRODE STRUCTURES AND ELECTROCHROMIC DEVICES NTERA LIMITED (IE) 2012-02-16 — — US disclosed
EP-2401650-A1 ADVANCED ELECTRODE STRUCTURES AND ELECTROCHROMIC DEVICES Ntera, Inc. (US) 2012-01-04 — — EP disclosed
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