Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 SCHEMBL27514121 | 1.00 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Water SCHEMBL29440857 | 1.00 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| SCHEMBL11863747 | 0.96 | TSHR (0.43) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Sodium Pyrosulfate SCHEMBL123783 | 0.96 | TSHR (0.43) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Water SCHEMBL28431955 | 0.92 | MEN1 (0.31) | TSHRMEN1ALDH1A1KMT2A | |
| SCHEMBL28417373 | 0.92 | TSHR (0.40) | TSHRMEN1ALDH1A1KMT2ARECQL | |
| Water SCHEMBL28603358 | 0.92 | MEN1 (0.31) | TSHRMEN1ALDH1A1KMT2A | |
| Water SCHEMBL17843464 | 0.92 | MEN1 (0.31) | TSHRMEN1ALDH1A1KMT2A | |
| Water SCHEMBL16872758 | 0.92 | MEN1 (0.31) | TSHRMEN1ALDH1A1KMT2A | |
| Water SCHEMBL31750015 | 0.92 | MEN1 (0.31) | TSHRMEN1ALDH1A1KMT2A |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100560588-C | Preparation of cefepime hydrochlorice by sodium salt precipitation method | XINLITAI PHARMACEUTICAL CO LTD (CN) | 2009-11-18 | — | — | CN | claimed |
| CN-101045734-A | Preparation of cefepime hydrochlorice by sodium salt precipitation method | XINLITAI PHARMACEUTICAL CO LTD (CN) | 2007-10-03 | — | — | CN | claimed |
| CN-1117767-C | Ionic contaminants removal from polymer cements using a molten component | SHELL INT RESEARCH (NL) | 2003-08-13 | — | — | CN | claimed |
| CN-102822123-B | Carbon nano ring and the suitable preparation method being used as the ring compound of its raw material | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2016-04-27 | — | — | CN | disclosed |
| CN-105517985-A | Fragrance composition | TAKASAGO PERFUMERY CO LTD | 2016-04-20 | — | — | CN | disclosed |
| CN-105452342-A | Silicone modified by long-chain hydrocarbon group-containing diglycerin derivative, and use thereof | DOW CORNING TORAY CO LTD | 2016-03-30 | — | — | CN | disclosed |
| CN-103797011-B | As compound and the composition of c-Kit kinase inhibitor | NOVARTIS AG (CH) | 2016-03-30 | — | — | CN | disclosed |
| CN-103764653-B | As compound and the composition of c-Kit kinase inhibitor | IRM LLC (BM) | 2015-12-02 | — | — | CN | disclosed |
| CN-102666552-B | Bicyclic thiazoles as allosteric modulators of the MGLUR5 receptor | JANSSEN PHARMACEUTICA NV | 2014-11-26 | — | — | CN | disclosed |
| CN-104136502-A | DIGLYCERIN DERIVATE-MODIFIED SILICONE, EMULSIFIER FOR WATER-IN-OIL EMULSION USING THE SAME, EXTERNAL USE PREPARATION, AND COSMETIC COMPOSITION | DOW CORNING TORAY CO LTD | 2014-11-05 | — | — | CN | disclosed |
| CN-104136496-A | METHOD OF PRODUCING A LOW ODOR GLYCERIN DERIVATIVE-MODIFIED SILICONE OR A COMPOSITION COMPRISING THE SAME | DOW CORNING TORAY CO LTD | 2014-11-05 | — | — | CN | disclosed |
| CN-101045734-A | Preparation of cefepime hydrochlorice by sodium salt precipitation method | XINLITAI PHARMACEUTICAL CO LTD (CN) | 2007-10-03 | — | — | CN | disclosed |
| CN-1205185-C | Nitrogen-containing cyclic compound and pharmaceutical composition containing the same | EISAI CO LTD (JP) | 2005-06-08 | — | — | CN | disclosed |
| CN-1617881-A | Chemical process | ASTRAZENECA AB (SE) | 2005-05-18 | — | — | CN | disclosed |
| CN-1602301-A | Preparation process of 4-methyl-7-aminoquinolone | CIBA SC HOLDING AG (CH) | 2005-03-30 | — | — | CN | disclosed |
| CN-1117767-C | Ionic contaminants removal from polymer cements using a molten component | SHELL INT RESEARCH (NL) | 2003-08-13 | — | — | CN | disclosed |
| CN-1395562-A | Nitrogenous cyclic compounds and pharmaceutical compositions containing the same | EISAI CO LTD (JP) | 2003-02-05 | — | — | CN | disclosed |
| CN-1362948-A | Preparation method of 3S-3-amino-3-aryl propionic acid and derivatives thereof | ORTHO MCNEIL PHARM INC (US) | 2002-08-07 | — | — | CN | disclosed |
| CN-1072684-A | Cephalosporins derivatives | HOFFMANN LA ROCHE (CH) | 1993-06-02 | — | — | CN | disclosed |
| CN-85101840-A | Make 16-phenoxy group-and the method and the intermediate of 16-substituent phenoxy-prostaglandin(PG) trienic acid derivative and their steric isomer | — | 1987-01-17 | — | — | CN | disclosed |