Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL107551 | 0.98 | HRH3 (0.34) | HRH3GPR84 | |
| Bromide SCHEMBL193081 | 0.96 | HRH3 (0.33) | HRH3GPR84 | |
| Iodide SCHEMBL247931 | 0.96 | HRH3 (0.33) | HRH3GPR84 | |
| Fluoride Ion SCHEMBL5046809 | 0.96 | HRH3 (0.33) | HRH3GPR84 | |
| SCHEMBL8003081 | 0.96 | HRH3 (0.33) | HRH3GPR84 | |
| Hydrochloric Acid SCHEMBL193045 | 0.96 | HRH3 (0.33) | HRH3GPR84 | |
| Hydrochloric Acid SCHEMBL2831078 | 0.94 | HRH3 (0.32) | HRH3 | |
| Hydrochloric Acid SCHEMBL1782212 | 0.94 | HRH3 (0.32) | HRH3 | |
| Bromide SCHEMBL15532008 | 0.94 | HRH3 (0.32) | HRH3 | |
| SCHEMBL535453 | 0.92 | HRH3 (0.32) | HRH3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015087352-A1 | A PROCESS FOR THE SYNTHESIS OF ARYL SULFONES | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2015-06-18 | — | — | WO | disclosed |
| WO-2012085166-A1 | METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-06-28 | — | — | WO | disclosed |
| EP-2445896-A2 | METHOD OF SYNTHESIZING ORGANIC MOLECULES IN IONIC LIQUIDS | VTU Holding GmbH (AT) | 2012-05-02 | — | — | EP | disclosed |
| US-8168764-B2 | Polyfunctional compound, optical recording material, optical recording medium, optical recording/reproducing apparatus, optical waveguide material, and photo-alignment film material | NITTO DENKO CORPORATION (JP) | 2012-05-01 | — | — | US | disclosed |
| US-8158737-B2 | Method for production of polyfunctional compound | NITTO DENKO CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| US-8158736-B2 | Method for production of polyfunctional compound | NITTO DENKO CORPORATION (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20110098454-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2011-04-28 | — | — | US | disclosed |
| US-20110046358-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2011-02-24 | — | — | US | disclosed |
| US-7884167-B2 | conducting a Michael addition of a compound (A) having a hydrogen atom of pKa less than or equal to 15 to a (meth)acrylate or a (meth)acrylamide (B), in which at least one of the compounds (A) and (B) has a photoisomerization group; optical recording material, optical waveguide material | NITTO DENKO CORPORATION (JP) | 2011-02-08 | — | — | US | disclosed |
| WO-2010149675-A2 | METHOD OF SYNTHESIZING ORGANIC MOLECULES | VTU HOLDING GMBH (AT) | 2010-12-29 | — | — | WO | disclosed |
| US-20100076216-A1 | LIQUID CRYSTAL COMPOUND, OPTICAL ELEMENT, POLARIZING PLATE, IMAGE DISPLAY APPARATUS, AND OPTICAL RECORDING MATERIAL | NITTO DENKO CORPORATION (JP) | 2010-03-25 | — | — | US | disclosed |
| US-20090209741-A1 | POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL | NITTO DENKO CORPORATION (JP) | 2009-08-20 | — | — | US | disclosed |
| US-20090182107-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | NITTO DENKO CORPORATION (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-1456435-A4 | ELECTROCHEMICAL PROCESS FOR PRODUCING IONIC LIQUIDS | SACHEM INC (US) | 2006-10-25 | — | — | EP | disclosed |
| EP-1456435-A1 | ELECTROCHEMICAL PROCESS FOR PRODUCING IONIC LIQUIDS | SACHEM, INC. (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003046257-A1 | ELECTROCHEMICAL PROCESS FOR PRODUCING IONIC LIQUIDS | SACHEM, INC. (US) | 2003-06-05 | — | — | 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 (4 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-20110046358-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | ADCY10, ADCY5, ADCY1 | HRH3 2300/4885GPR84 4063/4885 |
| US-20090209741-A1 | POLYFUNCTIONAL COMPOUND, OPTICAL RECORDING MATERIAL, OPTICAL RECORDING MEDIUM, OPTICAL RECORDING/REPRODUCING APPARATUS, OPTICAL WAVEGUIDE MATERIAL, AND PHOTO-ALIGNMENT FILM MATERIAL | CRY1, HAX1, F12 | HRH3 198/4885GPR84 2800/4885 |
| US-20110098454-A1 | METHOD FOR PRODUCTION OF POLYFUNCTIONAL COMPOUND | ADCY10, ADCY5, ADCY1 | HRH3 2375/4885GPR84 4139/4885 |
| US-20100076216-A1 | LIQUID CRYSTAL COMPOUND, OPTICAL ELEMENT, POLARIZING PLATE, IMAGE DISPLAY APPARATUS, AND OPTICAL RECORDING MATERIAL | RCC1, NCAPD2, OCIAD1 | HRH3 3224/4885GPR84 2781/4885 |
“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.