Hydrochloric Acid

Hydrochloric Acid

SCHEMBL602092

O=C(c1ccccc1)c1ccc(-[n+]2ccc(-c3cc[n+](CCP(=O)(O)O)cc3)cc2)cc1.[Cl-].[Cl-]

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SCD O00767 2/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MITF O75030 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL12905357 0.83 MAPT (0.38) RAB9AMEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL601780 0.82 MMP2 (0.39) RAB9AMEN1KMT2ALMNANPC1
SCHEMBL1108033 0.82 RAB9A (0.55) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL3788645 0.82 MEN1 (0.41) RAB9AMEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL600761 0.80 ALDH1A1 (0.39) RAB9AMEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL602853 0.79 RAB9A (0.36) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL12544643 0.79 RAB9A (0.56) RAB9AMEN1KMT2AMAPTLMNA
SCHEMBL12239728 0.79 RAB9A (0.50) RAB9AMEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL194414 0.79 PGK1 (0.37) —
Hydrochloric Acid SCHEMBL6446792 0.79 RAB9A (0.38) RAB9AMEN1KMT2AMAPTLMNA

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