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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 5/20 | 0.72 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.69 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1239368 | 0.97 | DNM1 (0.77) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| SCHEMBL17800111 | 0.93 | DNM1 (0.72) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Fluoride Ion SCHEMBL31559159 | 0.93 | DNM1 (0.72) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Water SCHEMBL3304283 | 0.93 | SLC22A1 (0.69) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Bromide SCHEMBL10701064 | 0.93 | DNM1 (0.72) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Bromide SCHEMBL622840 | 0.93 | DNM1 (0.78) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Water SCHEMBL1332993 | 0.93 | SLC22A1 (0.69) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL394062 | 0.93 | DNM1 (0.72) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Iodide SCHEMBL5088044 | 0.93 | DNM1 (0.72) | DNM1SLC22A1SLC22A2TSHRALDH1A1 | |
| Tetrabuthylammonium SCHEMBL231957 | 0.90 | SLC22A1 (0.75) | DNM1SLC22A1SLC22A2TSHRALDH1A1 |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119976882-A | Method for synthesizing hierarchical pore molecular sieve | 中国石油大学(华东) | 2025-05-13 | — | — | CN | claimed |
| CN-104694259-B | A kind of method that solubilized easily separated ionic liquid homogeneous catalysis prepares biodiesel | 中国科学院广州能源研究所 | 2017-08-22 | — | — | CN | claimed |
| CN-104694259-A | Method for preparing biodiesel by homogeneous catalysis of solubilizing and segregative ionic liquid | GUANGZHOU INST ENERGY CONV CAS | 2015-06-10 | — | — | CN | claimed |
| EP-1389912-A2 | PESTICIDE COMPOSITIONS CONTAINING OXALIC ACID | Monsanto Technology LLC (US) | 2004-02-25 | — | — | EP | claimed |
| WO-2002069718-A2 | PESTICIDE COMPOSITIONS CONTAINING OXALIC ACID | MONSANTO TECHNOLOGY LLC (US) | 2002-09-12 | — | — | WO | claimed |
| US-20020123430-A1 | Pesticide compositions containing oxalic acid | MONSANTO TECHNOLOGY LLC | 2002-09-05 | — | — | US | claimed |
| CN-119976882-A | Method for synthesizing hierarchical pore molecular sieve | 中国石油大学(华东) | 2025-05-13 | — | — | CN | disclosed |
| CN-111943858-B | Functionalized ionic liquid with anions containing carboxyl and sulfhydryl functional groups, and preparation method and application thereof | 中国药科大学 | 2023-05-12 | — | — | CN | disclosed |
| CN-115103930-A | Method for reducing or preventing corrosion or fouling by acidic compounds | 栗田工业株式会社 | 2022-09-23 | — | — | CN | disclosed |
| CN-112608258-A | Method for synthesizing 4,4' -dichlorodiphenyl sulfone by sulfoxide oxidation method | 江苏傲伦达科技实业股份有限公司 | 2021-04-06 | — | — | CN | disclosed |
| US-10875780-B2 | Synthesis of nanocrystalline beta zeolite, synthesis method and use thereof in catalytic applications | UNIVERSITAT POLITECNICA DE VALENCIA (ES) | 2020-12-29 | — | — | US | disclosed |
| US-20200216326-A1 | Synthesis of Nanocrystalline Beta Zeolite, Synthesis Method and use Thereof in Catalytic Applications | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2020-07-09 | — | — | US | disclosed |
| US-20200207631-A1 | Synthesis of Nanocrystalline MFI Zeolite, Synthesis Method and use Thereof in Catalytic Applications | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) | 2020-07-02 | — | — | US | disclosed |
| US-20040215013-A1 | Process for producing lactam | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2004-10-28 | — | — | US | disclosed |
| WO-2004050751-A1 | ALKALI SAPONIFICATION METHOD FOR CELLULOSE ACYLATE FILM, A SURFACE SAPONIFIED CELLULOSE ACYLATE FILM AND AN OPTICAL FILM UTILIZING THE SAME | FUJI PHOTO FILM CO., LTD. (JP) | 2004-06-17 | — | — | WO | disclosed |
| CN-1300962-A | Photo processing element and imaging method therefor | KONISHIROKU PHOTO IND (JP) | 2001-06-27 | — | — | CN | disclosed |
| EP-0225407-A1 | Lanthanum silicate materials, their production and use | Council of Scientific and Industrial Research (IN) | 1987-06-16 | — | — | EP | disclosed |
| US-4503226-A | QUATERNARY AMMONIUM CARBOXYLATE CATALYST | OLIN CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-3989651-A | TRIMERIZATION, N,N-DIMETHYLCYCLOHEXYLAMINE, TETRA-ALKYL AMMONIUM ALKANOIC ACID SALT | THE UPJOHN COMPANY (US) | 1976-11-02 | — | — | US | disclosed |
| US-3954684-A | QUATERNARY AMMONIUM SALT CATALYSTTRIMERIZATION OF POLYISOCYANATE | THE UPJOHN COMPANY (US) | 1976-05-04 | — | — | 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-20020123430-A1 | Pesticide compositions containing oxalic acid | OTC, SLC47A1, SLC47A2 | DNM1 1867/4885SLC22A1 292/4885SLC22A2 323/4885 |
“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.