Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL5512184 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL31139173 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL4069335 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL16460263 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL1160667 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL5350 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL28246842 | 1.00 | GAA (0.59) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL6305540 | 0.97 | GAA (0.56) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Methyl Alcohol SCHEMBL8799286 | 0.97 | GAA (0.56) | GAALMNAALDH1A1SMN1; SMN2TDP1 | |
| Water SCHEMBL21836188 | 0.97 | GAA (0.56) | GAALMNAALDH1A1SMN1; SMN2TDP1 |
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 183 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4606802-A1 | SALT AND CRYSTAL FORM OF HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2025-08-27 | — | — | EP | claimed |
| CN-120019055-A | Salt and crystal form of heterocyclic derivative inhibitor, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2025-05-16 | — | — | CN | claimed |
| WO-2024083204-A1 | SALT AND CRYSTAL FORM OF HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2024-04-25 | — | — | WO | claimed |
| CN-116479241-A | Eutectic solvent for leaching valuable metals in waste ternary lithium ion battery anode material, preparation method and leaching method | 浙江理工大学 | 2023-07-25 | — | — | CN | claimed |
| CN-112625056-B | Synthetic method of benzoborazole | 温州大学 | 2022-10-21 | — | — | CN | claimed |
| CN-114933627-A | Fluorine-containing cholesterol anion photoacid generator, preparation and photoresist composition thereof | 宁波南大光电材料有限公司 | 2022-08-23 | — | — | CN | claimed |
| CN-112625056-A | Synthetic method of benzoborazole | 温州大学 | 2021-04-09 | — | — | CN | claimed |
| CN-108623617-B | Preparation method of ceftiofur intermediate | 蒋辉 | 2021-04-02 | — | — | CN | claimed |
| CN-108623617-A | A kind of preparation method of Ceftiofur intermediate | 蒋辉 | 2018-10-09 | — | — | CN | claimed |
| WO-2009075504-A2 | CRYSTALLINE FORM OF BEPOTASTINE P-TOLUENESULFONATE, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | HANMI PHARM. CO., LTD. (KR) | 2009-06-18 | — | — | WO | claimed |
| EP-0930314-A1 | p-TOLUENESULFONATE HYDRATE OF THIAZOLINE COMPOUND | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1999-07-21 | — | — | EP | claimed |
| EP-0442385-A2 | Process for de preparation of 7-amino-3-methoxymethyl-ceph-3-em-4-carboxylic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-08-21 | — | — | EP | claimed |
| US-20250377594-A1 | RESIST COMPOSITION, METHOD FOR PRODUCING RESIST PATTERN AND METHOD FOR PRODUCING PLATED MOLDED ARTICLE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2025-12-11 | — | — | US | disclosed |
| US-20250321482-A1 | RESIST COMPOSITION, DRY FILM RESIST, METHOD FOR PRODUCING DRY FILM RESIST, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR PRODUCING PLATED OBJECT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2025-10-16 | — | — | US | disclosed |
| EP-4606802-A1 | SALT AND CRYSTAL FORM OF HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Hansoh Biomedical Co., Ltd. (CN) | 2025-08-27 | — | — | EP | disclosed |
| US-20250231484-A1 | RESIST COMPOSITION, METHOD FOR PRODUCING RESIST PATTERN AND METHOD FOR PRODUCING PLATED MOLDED ARTICLE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2025-07-17 | — | — | US | disclosed |
| EP-0002615-B1 | 13-HALO AND 13-DEOXY DERIVATIVES OF MODIFIED MILBEMYCIN COMPOUNDS AND THEIR PREPARATION | MERCK & CO. INC. (US) | 1983-10-05 | — | — | EP | disclosed |
| US-4173571-A | AGLYCONES | MERCK & CO., INC. (US) | 1979-11-06 | — | — | US | disclosed |
| US-4171314-A | INSECTICIDES, MITICIDES, PARASITICIDES, ANTHELMINTICS | MERCK & CO., INC. (US) | 1979-10-16 | — | — | US | disclosed |
| EP-0002615-A2 | 13-Halo and 13-deoxy derivatives of modified milbemycin compounds and their preparation | MERCK & CO. INC. (US) | 1979-06-27 | — | — | EP | disclosed |