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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL51449 | 0.98 | — | — | |
| SCHEMBL28181090 | 0.98 | ALDH1A1 (0.36) | ALDH1A1TSHRMAOBKDM4EMEN1 | |
| SCHEMBL19305350 | 0.96 | ALDH1A1 (0.35) | ALDH1A1TSHRMAOBKDM4EMEN1 | |
| Formic Acid SCHEMBL18555293 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TSHRMAOB | |
| Formaldehyde SCHEMBL28155252 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TSHRMAOB | |
| Methyl Alcohol SCHEMBL28206337 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TSHRMAOBKDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL28152998 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TSHRMAOB | |
| Water SCHEMBL28207794 | 0.94 | ALDH1A1 (0.34) | ALDH1A1TSHRMAOB | |
| Alcohol SCHEMBL791739 | 0.92 | ALDH1A1 (0.33) | ALDH1A1TSHRMAOBKDM4EMEN1 | |
| Acetone SCHEMBL28094281 | 0.90 | PKM (0.33) | ALDH1A1TSHRKDM4EMEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3400090-B1 | CATALYST COMPOSITIONS AND AMMOXIDATION PROCESSES | ASCEND PERFORMANCE MAT OPERATIONS LLC (US) | 2020-11-18 | — | — | EP | claimed |
| CN-110479244-A | Catalyst with base of molybdenum and its preparation method and application | ZHEJIANG NHU CO LTD | 2019-11-22 | — | — | CN | claimed |
| CN-105555774-B | Process for producing 2, 5-furandicarboxylic acid | 花王株式会社 | 2018-08-28 | — | — | CN | claimed |
| CN-109876823-A | A kind of Mn-Fe composite metal catalyst and its preparation method and application | 华东理工大学 | 2019-06-14 | — | — | CN | disclosed |
| CN-108251498-A | A kind of high-throughput method for screening active ingredients of 5 hydroxymethyl furfural oxidizing ferment | 遵义医学院 | 2018-07-06 | — | — | CN | disclosed |
| CN-108118064-A | 5 hydroxymethyl furfural oxidase gene HMFO and its codase and application | 中国科学院大连化学物理研究所 | 2018-06-05 | — | — | CN | disclosed |
| CN-107576655-A | The prefabricated reagent of hydroxymethylfurfural quick detection and its preservation, detection method in a kind of honey | 杭州天迈生物科技有限公司 | 2018-01-12 | — | — | CN | disclosed |
| EP-2033958-A1 | Hydroxymethylfurfural ethers from sugars and di- and triols | Furanix Technologies B.V (NL) | 2009-03-11 | — | — | EP | disclosed |