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.
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 SCHEMBL28212090 | 0.91 | — | — | |
| Water SCHEMBL5129118 | 0.91 | — | — | |
| Potassium Ion SCHEMBL2955595 | 0.91 | — | — | |
| SCHEMBL2169602 | 0.89 | — | — | |
| SCHEMBL81 | 0.89 | — | — | |
| Water SCHEMBL14921155 | 0.80 | — | — | |
| Water SCHEMBL21569409 | 0.80 | — | — | |
| SCHEMBL19547829 | 0.80 | — | — | |
| Water SCHEMBL21569407 | 0.80 | — | — | |
| Water SCHEMBL21569389 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230166980-A1 | GALLIUM-DOPED ZINC OXIDE PARTICLES, FILM CONTAINING GALLIUM-DOPED ZINC OXIDE PARTICLES, TRANSPARENT CONDUCTIVE FILM, ELECTRONIC DEVICE, AND METHOD FOR PRODUCING GALLIUM-DOPED ZINC OXIDE PARTICLES | TOHOKU UNIVERSITY (JP) | 2023-06-01 | — | — | US | disclosed |
| CN-109912399-A | The method of high-pressure synthesis 2- phenylpropionic acid | 浙江大学 | 2019-06-21 | — | — | CN | disclosed |
| CN-109846796-A | A kind of skin cream of the oil containing Seeds of Camellia sinensis var. assamica | 广东润洁日化有限公司 | 2019-06-07 | — | — | CN | disclosed |
| CN-109485556-A | The method of one pot process 2- phenylpropionic acid | 浙江大学 | 2019-03-19 | — | — | CN | disclosed |
| CN-105237342-B | A kind of method that catalytic hydrogenation carboxylate reduction prepares alcohol | 河北师范大学 | 2018-06-26 | — | — | CN | disclosed |
| CN-108069878-A | A kind of method that 7- anilino-s formoxyl methyl heptanoate quickly prepares Vorinostat | 荆楚理工学院 | 2018-05-25 | — | — | CN | disclosed |
| CN-105237473-B | The 4,5,6 multifunctional amino nicotinic acid nitrile derivatives of dough 2 and preparation method | 浙江大学 | 2017-12-26 | — | — | CN | disclosed |
| US-8772327-B2 | Phenylpropionic acid derivative and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2014-07-08 | — | — | US | disclosed |
| US-20130131134-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | MORITA KOHEI (JP) | 2013-05-23 | — | — | US | disclosed |
| US-8334314-B2 | Phenylpropionic acid derivative and use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2012-12-18 | — | — | US | disclosed |
| WO-2011099871-A1 | SATURATED FATTY ACID ESTER PHASE CHANGE MATERIALS AND PROCESSES FOR PREPARING THE SAME | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-08-18 | — | — | WO | disclosed |
| EP-2272832-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | Asahi Kasei Pharma Corporation (JP) | 2011-01-12 | — | — | EP | disclosed |
| US-20100093819-A1 | PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-04-15 | — | — | US | disclosed |
| WO-2006079857-A1 | DIARYL ACETIC ACID DERIVATIVES AND THE PREPARATION THEREOF | SANOFI-AVENTIS (FR) | 2006-08-03 | — | — | WO | disclosed |
| US-4388376-A | RELIABLE, DURABLE MAGNETIC TAPES | TDK ELECTRONICS CO., LTD. (JP) | 1983-06-14 | — | — | US | disclosed |
| US-4094852-A | Process for the production of polytriazines in the presence of high-boiling esters | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-13 | — | — | US | disclosed |