Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28167126

CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]4OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](COS(=O)(=O)O)O[C@H]1O.[Cl-].[Na+]

nearest known ligand 0.66

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
▸ F10 P00742 3/20 0.66
▸ BDNF P23560 3/20 0.52
▸ MDK P21741 3/20 0.52
▸ PTN P21246 2/20 0.52
▸ BMP2 P12643 3/20 0.46
▸ VEGFA P15692 3/20 0.46
▸ CXCL12 P48061 2/20 0.46
▸ SHH Q15465 2/20 0.46
▸ IFNG P01579 2/20 0.44
▸ PF4 P02776 1/20 0.44
▸ CCL2 P13500 1/20 0.44
▸ SELP P16109 1/20 0.44
▸ BMP6 P22004 1/20 0.44
▸ CCL11 P51671 1/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ SELPLG Q14242 1/20 0.44
▸ SERPINC1 P01008 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ FGF2 P09038 3/20 0.41
▸ HPSE Q9Y251 5/20 0.40

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
SCHEMBL29614646 0.99 F10 (0.67) F10BDNFMDKPTNBMP2
Hydrochloric Acid SCHEMBL28233049 0.99 F10 (0.66) F10BDNFMDKPTNBMP2
SCHEMBL28227554 0.99 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL11557 0.99 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL543122 0.99 F10 (0.68) F10BDNFMDKPTNBMP2
SCHEMBL28294039 0.97 F10 (0.66) F10BDNFMDKPTNBMP2
Potassium Ion SCHEMBL28270668 0.97 F10 (0.66) F10BDNFMDKPTNBMP2
SCHEMBL28297524 0.97 F10 (0.66) F10BDNFMDKPTNBMP2
Hydrochloric Acid SCHEMBL28179031 0.97 F10 (0.66) F10BDNFMDKPTNBMP2
Hydroxyamine SCHEMBL28122321 0.97 F10 (0.66) F10BDNFMDKPTNBMP2

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
CN-107091869-A Copper nano-particle/pyrocatechol violet/carbon nano tube modified electrode and its application 南京理工大学 2017-08-25 — — CN claimed
CN-105030702-B One kind sodium pharmaceutical composition containing heparin and preparation method thereof 马鞍山丰原制药有限公司 2019-01-18 — — CN disclosed
CN-107091869-A Copper nano-particle/pyrocatechol violet/carbon nano tube modified electrode and its application 南京理工大学 2017-08-25 — — CN disclosed
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