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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.39 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.39 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | EYA2 | O00167 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL7765711 | 1.00 | TDP1 (0.41) | TDP1EYA2APPACELMNA | |
| SCHEMBL2687920 | 0.97 | TDP1 (0.43) | TDP1EYA2APPACELMNA | |
| SCHEMBL6788905 | 0.94 | TDP1 (0.41) | TDP1EYA2APPACELMNA | |
| SCHEMBL7975927 | 0.89 | TDP1 (0.38) | TDP1EYA2APPACELMNA | |
| SCHEMBL4927059 | 0.87 | TDP1 (0.36) | TDP1EYA2APPACELMNA | |
| SCHEMBL3714284 | 0.83 | LMNA (0.39) | TDP1EYA2APPACELMNA | |
| SCHEMBL7522571 | 0.83 | TDP1 (0.33) | TDP1EYA2APPACELMNA | |
| SCHEMBL7332844 | 0.81 | TDP1 (0.32) | TDP1EYA2APPACELMNA | |
| SCHEMBL7330656 | 0.81 | CYP2C19 (0.41) | TDP1EYA2APPACELMNA | |
| SCHEMBL30241145 | 0.79 | CA12 (0.44) | TDP1EYA2APPACELMNA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1319102-A | Continuous process for the preparation of N-(phosphonomethyl) iminodiacetic acid | MONSANTO CO (US) | 2001-10-24 | — | — | CN | disclosed |
| US-6278017-B1 | FORMING N-ACETYLIMINODIACETIC ACID IN AMIDOCARBOXYMETHYLATION REACTOR; WITHDRAWING; SEPARATING CATALYST; DEACYLATION, CYCLIZATION; REACTING WITH PHOSPHOROUS SOURCE AND FORMALDEHYDE SORUCE; FORMING ACETAMIDE; FORMING N-(PHOSPHONOMETHYL)GLYCINE | MONSANTO COMPANY | 2001-08-21 | — | — | US | disclosed |
| EP-1104428-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL) IMINODIACETIC ACID | MONSANTO COMPANY (US) | 2001-06-06 | — | — | EP | disclosed |
| US-6130351-A | AMIDOCARBOXYMETHYLATION BY REACTING ACETAMIDE, FORMALDEHYDE, AND CARBON MONOXIDE USING CARBONYLATION CATALYST; REACTING N-(ACETYL)IMINODIACETIC ACID OR 2,5-DIKETOPIPERAZINE WITH PHOSPHORUS AND FORMALDEHYDE SOURCE; | MONSANTO COMPANY (US) | 2000-10-10 | — | — | US | disclosed |
| WO-2000009520-A9 | CONTINUOUS PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL) IMINODIACETIC ACID | MONSANTO CO (US) | 2000-09-28 | — | — | WO | disclosed |
| WO-2000009520-A1 | CONTINUOUS PROCESS FOR THE PREPARATION OF N-(PHOSPHONOMETHYL) IMINODIACETIC ACID | MONSANTO COMPANY (US) | 2000-02-24 | — | — | WO | disclosed |