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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | PGD | P52209 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 5/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20798105 | 0.97 | TSHR (0.50) | TSHRPGDFOLH1PGK1PGK2 | |
| SCHEMBL27481 | 0.97 | TSHR (0.50) | TSHRPGDFOLH1PGK1PGK2 | |
| SCHEMBL8884865 | 0.94 | TSHR (0.47) | TSHRPGDFOLH1PGK1PGK2 | |
| SCHEMBL16058860 | 0.94 | TSHR (0.47) | TSHRPGDFOLH1PGK1PGK2 | |
| Glycerin SCHEMBL22285861 | 0.84 | PDE4A (0.40) | TSHRPGDFOLH1PGK1PGK2 | |
| SCHEMBL20475911 | 0.79 | PDE4A (0.44) | TSHRPGDFOLH1PGK1PGK2 | |
| SCHEMBL917799 | 0.77 | PDE4A (0.43) | TSHRPGDFOLH1PGK1PGK2 | |
| SCHEMBL1533815 | 0.76 | TSHR (0.32) | TSHRPGDMEN1LMNAHPGD | |
| SCHEMBL11233501 | 0.76 | LMNA (0.38) | TSHRPGDMEN1LMNAHPGD | |
| SCHEMBL20493915 | 0.76 | LMNA (0.33) | TSHRPGDMEN1LMNAHPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12006526-B2 | Microorganisms and methods for the production of oxygenated compounds from hexoses | BRASKEM S.A. (BR) | 2024-06-11 | — | — | US | disclosed |
| US-11584944-B2 | Degradation pathway for pentose and hexose sugars | BRASKEM S.A. (BR) | 2023-02-21 | — | — | US | disclosed |
| US-20200283811-A1 | DEGRADATION PATHWAY FOR PENTOSE AND HEXOSE SUGARS | BRASKEM S.A. (BR) | 2020-09-10 | — | — | US | disclosed |
| US-20200283806-A1 | MICROORGANISMS AND METHODS FOR THE PRODUCTION OF OXYGENATED COMPOUNDS FROM HEXOSES | BRASKEM S.A. (BR) | 2020-09-10 | — | — | US | disclosed |
| US-9994881-B2 | Functionalized carboxylic acids and alcohols by reverse fatty acid oxidation in engineered microbes | WILLIAM MARSH RICE UNIVERSITY (US) | 2018-06-12 | — | — | US | disclosed |
| US-20140273110-A1 | FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION | WILLIAM MARSH RICE UNIVERSITY (US) | 2014-09-18 | — | — | US | disclosed |
| US-8673601-B2 | Methods and organisms for growth-coupled production of 3-hydroxypropionic acid | GENOMATICA, INC. (US) | 2014-03-18 | — | — | US | disclosed |
| US-20080199926-A1 | Methods and Organisms for Growth-Coupled Production of 3-Hydroxypropionic Acid | GENOMATICA, INC. | 2008-08-21 | — | — | US | disclosed |