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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL3605614 | 0.97 | DNM1 (0.35) | DNM1CA12CA1CA9ALDH1A1 | |
| Bromide SCHEMBL7669293 | 0.95 | DNM1 (0.36) | DNM1CA12CA1CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1357309 | 0.90 | DNM1 (0.50) | DNM1CA12CA1CA9CA2 | |
| Hydrochloric Acid SCHEMBL3593887 | 0.90 | DNM1 (0.50) | DNM1CA12CA1CA9CA2 | |
| Hydrochloric Acid SCHEMBL3592047 | 0.86 | CA12 (0.39) | DNM1CA12CA1CA9ALDH1A1 | |
| Bromide SCHEMBL1357737 | 0.85 | DNM1 (0.50) | DNM1CA12CA1CA9ALDH1A1 | |
| Bromide SCHEMBL7624606 | 0.85 | DNM1 (0.50) | DNM1CA12CA1CA9ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3598152 | 0.83 | — | — | |
| Iodide SCHEMBL6151762 | 0.80 | CA12 (0.39) | DNM1CA12CA1CA9ALDH1A1 | |
| Bromide SCHEMBL6151479 | 0.80 | CA12 (0.39) | DNM1CA12CA1CA9ALDH1A1 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090306401-A1 | Method For The Production of 5-Fluoro-1,3-Dialkyl-1H-Pyrazol-4-Carbonyl Fluorides | BAYER CROPSCIENCE AG (DE) | 2009-12-10 | — | — | US | claimed |
| EP-1928839-B1 | METHOD FOR THE PRODUCTION OF 5-FLUORO-1,3-DIALKYL-1H-PYRAZOL-4-CARBONYL FLUORIDES | BAYER CROPSCIENCE AG (DE) | 2008-12-31 | — | — | EP | claimed |
| EP-0958052-B1 | AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS | CLARIANT GMBH (DE) | 2002-12-04 | — | — | EP | claimed |
| JP-2001508359-A | — | — | 2001-06-26 | — | — | JP | claimed |
| US-6103659-A | Catalyst comprising an amidophosphonium salt for halex reactions | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2000-08-15 | — | — | US | claimed |
| EP-0958052-A1 | AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-11-24 | — | — | EP | claimed |
| WO-1998032532-A1 | AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-07-30 | — | — | WO | claimed |
| US-7714144-B2 | 5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl chloride are initially charged in polyethylene glycol dimethyl ether, potassium fluoride and tetraphenylphosphonium bromide as phase tranfer catalyst and sulfolane to produce 5-fluoro-1,3-dimethyl-1H-pyrazole-4-carbonyl fluoride | BAYER CROPSCIENCE AG (DE) | 2010-05-11 | — | — | US | disclosed |
| US-20090306401-A1 | Method For The Production of 5-Fluoro-1,3-Dialkyl-1H-Pyrazol-4-Carbonyl Fluorides | BAYER CROPSCIENCE AG (DE) | 2009-12-10 | — | — | US | disclosed |
| EP-1928839-B1 | METHOD FOR THE PRODUCTION OF 5-FLUORO-1,3-DIALKYL-1H-PYRAZOL-4-CARBONYL FLUORIDES | BAYER CROPSCIENCE AG (DE) | 2008-12-31 | — | — | EP | disclosed |
| EP-1015402-B1 | Method for producing compounds containing fluorine, in particular fluorobenzaldehydes and fluorobenzonitriles | CLARIANT GMBH (DE) | 2002-12-04 | — | — | EP | disclosed |
| EP-0958052-B1 | AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS | CLARIANT GMBH (DE) | 2002-12-04 | — | — | EP | disclosed |
| EP-0878461-B1 | Process for the preparation of 3,5-difluoroaniline | CLARIANT GMBH (DE) | 2002-04-10 | — | — | EP | disclosed |
| EP-1015402-A1 | METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES | Aventis Research & Technologies GmbH & Co. KG (DE) | 2000-07-05 | — | — | EP | disclosed |
| EP-0958052-A1 | AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS | Aventis Research & Technologies GmbH & Co. KG (DE) | 1999-11-24 | — | — | EP | disclosed |
| US-5965775-A | HEATING 3,5-DIFLUOROCHLOROBENZENE WITH AMMONIA IN PRESENCE OF SOLVENT AND CATALYST COMPRISING COPPER COMPOUND AND ONE METAL SELECTED FROM GROUP CONSISTING OF COPPER, IRON, COBALT, NICKEL, MOLYBDENUM,CHROMIUM AND ZINC | CLARIANT GMBH (DE) | 1999-10-12 | — | — | US | disclosed |
| EP-0908443-A2 | Process for the preparation of fluorinated aromatic compounds | Clariant GmbH (DE) | 1999-04-14 | — | — | EP | disclosed |
| WO-1999011588-A1 | METHOD FOR PRODUCING COMPOUNDS CONTAINING FLUORINE, IN PARTICULAR FLUOROBENZALDHYDES AND FLUOROBENZONITRILES | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 1999-03-11 | — | — | WO | disclosed |
| EP-0878461-A2 | Process for the preparation of 3,5-difluoroaniline | Clariant GmbH (DE) | 1998-11-18 | — | — | EP | disclosed |
| WO-1998032532-A1 | AMIDOPHOSPHONIUM-SALT-CONTAINING CATALYST FOR HALOGEN-FLUORINE EXCHANGE REACTIONS | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) | 1998-07-30 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090306401-A1 | Method For The Production of 5-Fluoro-1,3-Dialkyl-1H-Pyrazol-4-Carbonyl Fluorides | CYP4X1, DHX35, AOX1 | DNM1 793/4885CA12 2159/4885CA1 1030/4885 |
“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.