Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19127347

CCCCCCCCCCCCCCCCCCCl.CCN(CC)c1ccc2c(-c3ccccc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1.[Cl-]

nearest known ligand 0.53

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
▸ CHRM1 known ✓ P11229 3/20 0.45
▸ MEN1 O00255 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ NCOR2 Q9Y618 1/20 0.53
▸ TGM2 P21980 1/20 0.52
▸ FPR2 P25090 4/20 0.51
▸ TLR7 Q9NYK1 1/20 0.50
▸ AVPR2 P30518 2/20 0.42
▸ NPY4R P50391 3/20 0.41
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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 SCHEMBL18617 0.92 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL29354092 0.92 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL30207638 0.92 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL10325011 0.91 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
Hydrochloric Acid SCHEMBL31337069 0.91 MEN1 (0.59) MEN1BLMKMT2AUSP2POLB
SCHEMBL3903552 0.91 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
SCHEMBL29593395 0.91 MEN1 (0.61) MEN1BLMKMT2AUSP2POLB
Stearic Acid SCHEMBL10583270 0.91 TGM2 (0.55) MEN1BLMKMT2AUSP2POLB
Acetic Acid SCHEMBL29510237 0.88 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB
Perchlorate SCHEMBL31688153 0.88 MEN1 (0.60) MEN1BLMKMT2AUSP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190017987-A1 PERFORMING ONE OR MORE ANALYSES ON A THIN LAYER OF BIOLOGIC FLUID USING OPTICALLY RESPONSIVE CHEMICAL SENSORS LEVINE ROBERT A (US) 2019-01-17 — — US disclosed
WO-2017123296-A1 PERFORMING ONE OR MORE ANALYSES ON A THIN LAYER OF BIOLOGIC FLUID USING OPTICALLY RESPONSIVE CHEMICAL SENSORS LEVINE ROBERT A (US) 2017-07-20 — — WO disclosed
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