Hydrochloric Acid

Hydrochloric Acid

SCHEMBL22345460

O=P(O)(O)CCCc1c[n+](CCCP(=O)(O)O)nc2ccccc12.[Cl-]

nearest known ligand 0.33

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 10)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PNP P00491 1/20 0.32
▸ ACP3 P15309 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL22345457 0.93 S1PR2 (0.30) S1PR1S1PR2S1PR4S1PR3PNP
Bromide SCHEMBL22345538 0.79 NPY5R (0.33) MEN1KMT2A
SCHEMBL22144263 0.72 ALDH1A1 (0.33) S1PR1S1PR2S1PR4S1PR3ACP3
SCHEMBL22345519 0.65 — —
SCHEMBL22345375 0.64 ACP3 (0.47) ACP3
SCHEMBL8752552 0.61 FDPS (0.57) ALDH1A1
SCHEMBL4406117 0.61 S1PR2 (0.69) S1PR1S1PR2S1PR4S1PR3ACP3
SCHEMBL12131331 0.61 ADORA3 (0.51) MEN1ALDH1A1KMT2A
SCHEMBL28614875 0.60 — —
SCHEMBL9603138 0.59 KDM4E (0.55) S1PR1S1PR2S1PR4S1PR3PNP

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-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-05-05 — — US disclosed
EP-3924344-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 — — EP disclosed
CN-113423694-A Cinnolinium compounds for use in a method for controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-21 — — CN disclosed
WO-2020164970-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220132847-A1 CINNOLINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH NOTUM, DDT, CYP51A1 TBXAS1 4143/4885S1PR1 2329/4885S1PR2 2254/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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