Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL22188718 | 0.96 | KEAP1 (0.48) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| SCHEMBL2411125 | 0.96 | KEAP1 (0.52) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| SCHEMBL15732 | 0.96 | KEAP1 (0.52) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| SCHEMBL9673914 | 0.94 | KEAP1 (0.50) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| SCHEMBL4022655 | 0.94 | KEAP1 (0.50) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| Hydrochloric Acid SCHEMBL31040251 | 0.94 | GLA (0.50) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| SCHEMBL30482572 | 0.94 | KEAP1 (0.50) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| Sulfuric Acid SCHEMBL28303863 | 0.94 | KEAP1 (0.50) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| SCHEMBL161681 | 0.94 | KEAP1 (0.50) | KEAP1SMN1; SMN2HPGDDUSP3GLA | |
| SCHEMBL8646445 | 0.92 | KEAP1 (0.48) | KEAP1SMN1; SMN2HPGDDUSP3GLA |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115572502-A | Multifunctional coating based on cation-pi interaction and preparation method and application thereof | 山东大学 | 2023-01-06 | — | — | CN | claimed |
| CN-115093579-A | Rapid gel preparation method | 山东大学 | 2022-09-23 | — | — | CN | claimed |
| CN-113049809-A | Detection kit for detecting eight cardiac markers and detection method for eight cardiac markers | 深圳市帝迈生物技术有限公司 | 2021-06-29 | — | — | CN | claimed |
| CN-112322161-A | Preparation method of super-hydrophilic self-cleaning coating based on cation-pi effect | 山东大学 | 2021-02-05 | — | — | CN | claimed |
| CN-111398006-A | Whole blood sample pretreatment device | 苏州德沃生物技术有限公司 | 2020-07-10 | — | — | CN | claimed |
| CN-111398586-A | Single reagent L P-P L A2 latex enhanced immunoturbidimetry assay kit | 苏州德沃生物技术有限公司 | 2020-07-10 | — | — | CN | claimed |
| CN-111381025-A | Immunoassay kit for multiplex detection, application and multiplex detection method | 深圳市帝迈生物技术有限公司 | 2020-07-07 | — | — | CN | claimed |
| CN-110840763-A | Cyclic hair dyeing method based on metal-polyphenol network structure | 山东大学 | 2020-02-28 | — | — | CN | claimed |
| CN-107434776-B | A kind of Multifunctional imaging cross-linked stable nano drug-carrying micella and preparation method | 天津大学 | 2019-02-05 | — | — | CN | claimed |
| CN-107434776-A | A kind of Multifunctional imaging cross-linked stable nano drug-carrying micella and preparation method | 天津大学 | 2017-12-05 | — | — | CN | claimed |
| US-9169258-B2 | Doripenem intermediate compound, preparation process therefor and use thereof, and preparation process for doripenem | SHENZHEN HAIBIN PHARMACEUTICAL CO., LTD. (CN) | 2015-10-27 | — | — | US | claimed |
| US-20150038700-A1 | DORIPENEM INTERMEDIATE COMPOUND, PREPARATION PROCESS THEREFOR AND USE THEREOF, AND PREPARATION PROCESS FOR DORIPENEM | SHENZHEN HAIBIN PHARMACEUTICAL CO., LTD. (CN) | 2015-02-05 | — | — | US | claimed |
| US-20250179442-A1 | METHOD OF PRODUCING ADENO-ASSOCIATED VIRUS | KANEKA CORPORATION (JP) | 2025-06-05 | — | — | US | disclosed |
| CN-116948187-A | Multifunctional hydrogel with pH responsiveness and separable skin adhesiveness, and preparation method and application thereof | 山东大学齐鲁医院 | 2023-10-27 | — | — | CN | disclosed |
| CN-111381027-B | Immunocapture composition, preparation method and application thereof, and immunodetection kit | 深圳市帝迈生物技术有限公司 | 2023-07-28 | — | — | CN | disclosed |
| CN-111381024-B | Immunocapture composition, preparation method, kit and application | 深圳市帝迈生物技术有限公司 | 2023-03-28 | — | — | CN | disclosed |
| EP-0050334-B1 | 2-CARBAMIMIDOYL-6-SUBSTITUTED-1-CARBADETHIAPEN-2-EM-3-CARBOXYLIC ACIDS, A PROCESS FOR PREPARING AND AN ANTIBIOTIC COMPOSITION COMPRISING THE SAME | MERCK & CO. INC. (US) | 1987-06-10 | — | — | EP | disclosed |
| EP-0160876-A1 | 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids | MERCK & CO. INC. (US) | 1985-11-13 | — | — | EP | disclosed |
| EP-0071908-A1 | 1-, and 1,1-disubstituted-6-substituted-2-carbamimidoyl-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition containing the same | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | disclosed |
| EP-0050334-A1 | 2-Carbamimidoyl-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, a process for preparing and an antibiotic composition comprising the same | MERCK & CO. INC. (US) | 1982-04-28 | — | — | EP | 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-20150038700-A1 | DORIPENEM INTERMEDIATE COMPOUND, PREPARATION PROCESS THEREFOR AND USE THEREOF, AND PREPARATION PROCESS FOR DORIPENEM | HADHB, PDHB, FARSB | KEAP1 2654/4885SMN1; SMN2 2231/4885HPGD 280/4885 |
“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.