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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.55 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25425763 | 0.96 | GABRA1 (0.58) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL36294 | 0.96 | GABRA1 (0.58) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL29390847 | 0.96 | GABRA1 (0.58) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL30988351 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL14807864 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL7542830 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| Benzene SCHEMBL11603070 | 0.93 | TP53 (0.56) | GABRA1GABRB2MGLLTP53MAPT | |
| Benzene SCHEMBL3122858 | 0.93 | TP53 (0.56) | GABRA1GABRB2MGLLTP53MAPT | |
| SCHEMBL25402639 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT | |
| Ammonia Solution, Strong SCHEMBL2638008 | 0.93 | GABRA1 (0.55) | GABRA1GABRB2MGLLTP53MAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-216837757-U | Dehydrogenation divinylbenzene preparation facilities | 宁夏宝运新材料科技有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-103553972-B | Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester | 旭化成株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-103588680-B | N-substituted carbamate conveying with and storage compositions and manufacture isocyanates method | 旭化成株式会社 | 2016-08-10 | — | — | CN | disclosed |
| CN-1282494-C | Method for obtaining organic acid from organic acid ammonium salt, organic acid amide, or alkylamine-organic acid complex | STALEY MFG CO A E (US) | 2006-11-01 | — | — | CN | disclosed |
| EP-1385593-B1 | PROCESS FOR OBTAINING AN ORGANIC ACID FROM AN ORGANIC ACID AMMONIUM SALT, AN ORGANIC ACID AMIDE, OR AN ALKYLAMINE ORGANIC ACID COMPLEX | TATE & LYLE INGREDIENTS (US) | 2006-08-09 | — | — | EP | disclosed |
| US-6926810-B2 | Process for obtaining an organic acid from an organic acid ammonium salt, an organic acid amide, or an alkylamine organic acid complex | A. E. STALEY MANUFACTURING CO. (US) | 2005-08-09 | — | — | US | disclosed |
| CN-1509197-A | Process for obtaining organic and from organic acid ammonium salt, an organic acid amide, or alkylamine organic acid complex | A��E��˹�������칫˾ | 2004-06-30 | — | — | CN | disclosed |
| CN-1438207-A | Dehydrogenation method | FINA TECHNOLOGY (US) | 2003-08-27 | — | — | CN | disclosed |
| US-20030029711-A1 | Process for obtaining an organic acid from an organic acid ammonium salt, an organic acid amide, or an alkylamine organic acid complex | TATE & LYLE INGREDIENTS AMERICAS, INC. | 2003-02-13 | — | — | US | disclosed |