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 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL907613 | 0.96 | TSHR (0.38) | TSHR | |
| SCHEMBL3899928 | 0.92 | TSHR (0.35) | TSHR | |
| Fluoride Ion SCHEMBL9226127 | 0.92 | TSHR (0.35) | TSHR | |
| SCHEMBL17800112 | 0.92 | TSHR (0.35) | TSHR | |
| SCHEMBL3899926 | 0.92 | TSHR (0.35) | TSHR | |
| Bromide SCHEMBL5077793 | 0.92 | TSHR (0.35) | TSHR | |
| SCHEMBL2835523 | 0.78 | ALDH1A1 (0.40) | TSHR | |
| SCHEMBL3896262 | 0.78 | — | — | |
| SCHEMBL6355607 | 0.78 | — | — | |
| Water SCHEMBL247188 | 0.74 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2196509-B1 | Chemical Mechanical Polishing Composition for polishing substrates containing a low-k dielectric material and Methods Relating Thereto | ROHM & HAAS ELECT MAT (US) | 2011-01-26 | — | — | EP | claimed |
| US-4169960-A | REMOVING WATER FROM FLUORINATED ALCOHOLS EMPLOYING A TETRAHYDROCARBYLAMMONIUM HYDROXIDE | PHILLIPS PETROLEUM COMPANY (US) | 1979-10-02 | — | — | US | claimed |
| CN-109304199-B | Heteroatom-containing nano carbon material, preparation method thereof and thioether oxidation method | 中国石油化工股份有限公司 | 2022-03-11 | — | — | CN | disclosed |
| CN-109304200-B | Heteroatom-containing nano carbon material, preparation method thereof and aromatic hydrocarbon oxidation method | 中国石油化工股份有限公司 | 2021-11-16 | — | — | CN | disclosed |
| CN-110128250-B | Process for preparing cyclohexanone | 中国石油化工股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-109304152-B | Heteroatom-containing nano carbon material and acrolein oxidation method | 中国石油化工股份有限公司 | 2021-10-08 | — | — | CN | disclosed |
| CN-111072530-B | Preparation method of sulfone | 中国石油化工股份有限公司 | 2021-08-06 | — | — | CN | disclosed |
| CN-110128313-B | Process for preparing tert-butyl hydroperoxide | 中国石油化工股份有限公司 | 2021-04-06 | — | — | CN | disclosed |
| CN-107661755-B | Catalyst with hydrocarbon dehydrogenation catalysis, preparation method and application thereof, and hydrocarbon dehydrogenation reaction method | 中国石油化工股份有限公司 | 2020-09-22 | — | — | CN | disclosed |
| CN-109593072-B | Method for oxidizing olefin | 中国石油化工股份有限公司 | 2020-09-22 | — | — | CN | disclosed |
| CN-107661777-B | Catalyst with hydrocarbon dehydrogenation catalysis, preparation method and application thereof, and hydrocarbon dehydrogenation reaction method | 中国石油化工股份有限公司 | 2020-09-22 | — | — | CN | disclosed |
| CN-107661765-B | Nanocarbon material forming body, preparation method and application thereof, forming method of nanocarbon material and hydrocarbon dehydrogenation reaction method | 中国石油化工股份有限公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-107661769-B | Nanocarbon material forming body, preparation method and application thereof, forming method of nanocarbon material and hydrocarbon dehydrogenation reaction method | 中国石油化工股份有限公司 | 2020-06-12 | — | — | CN | disclosed |
| CN-107661763-B | Nanocarbon material forming body, preparation method and application thereof, forming method of nanocarbon material and hydrocarbon dehydrogenation reaction method | 中国石油化工股份有限公司 | 2020-05-19 | — | — | CN | disclosed |
| CN-105523972-B | Thioether oxidation method | 中国石油化工股份有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-111072530-A | Preparation method of sulfone | 中国石油化工股份有限公司 | 2020-04-28 | — | — | CN | disclosed |
| CN-105439921-B | Method for producing dimethyl sulfoxide | 中国石油化工股份有限公司 | 2020-03-24 | — | — | CN | disclosed |
| US-20180015445-A1 | HETEROATOM-CONTAINING NANOCARBON MATERIAL, PREPARATION METHOD AND USE THEREOF, AND METHOD FOR DEHYDROGENATION REACTION OF HYDROCARBONS | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2018-01-18 | — | — | US | disclosed |
| EP-3251746-A1 | HETEROATOM-CONTAINING NANOCARBON MATERIAL, PREPARATION METHOD AND USE THEREOF, AND METHOD FOR DEHYDROGENATION REACTION OF HYDROCARBONS | China Petroleum & Chemical Corporation (CN) | 2017-12-06 | — | — | EP | disclosed |
| US-4169960-A | REMOVING WATER FROM FLUORINATED ALCOHOLS EMPLOYING A TETRAHYDROCARBYLAMMONIUM HYDROXIDE | PHILLIPS PETROLEUM COMPANY (US) | 1979-10-02 | — | — | US | 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-20180015445-A1 | HETEROATOM-CONTAINING NANOCARBON MATERIAL, PREPARATION METHOD AND USE THEREOF, AND METHOD FOR DEHYDROGENATION REACTION OF HYDROCARBONS | NUCB2, OPRM1, HAO2 | TSHR 4845/4885 |
“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.