Hydrochloric Acid

Hydrochloric Acid

SCHEMBL27245458

Nc1ccc(C[C@H](N)C(=O)O)cc1.[Cl-].[H+]

nearest known ligand 0.67

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
▸ CHRM2 known ✓ P08172 1/20 0.53
▸ CHRM1 known ✓ P11229 1/20 0.53
▸ ACHE known ✓ P22303 1/20 0.53
▸ SLC6A3 known ✓ Q01959 1/20 0.53
▸ SLC7A5 Q01650 3/20 0.67
▸ PTGS1 P23219 3/20 0.66
▸ ALPI P09923 1/20 0.66
▸ PKM P14618 1/20 0.66
▸ XIAP P98170 1/20 0.66
▸ HIF1A Q16665 5/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ LCK P06239 1/20 0.56
▸ FYN P06241 1/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ HTR2A P28223 1/20 0.56

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
SCHEMBL43852 0.96 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL43851 0.96 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL288375 0.96 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
Water SCHEMBL2778595 0.94 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Water SCHEMBL2776212 0.94 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL3873365 0.94 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Water SCHEMBL2310847 0.94 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL28269648 0.94 SLC7A5 (0.69) SLC7A5PTGS1ALPIPKMXIAP
Phenylalanine SCHEMBL16207858 0.91 SLC7A5 (0.81) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL31369911 0.91 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240200050-A1 AMINOACYL TRANSFER RNA SYNTHETASES TRUSTEES OF TUFTS COLLEGE (US) 2024-06-20 — — US disclosed
Send feedback