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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
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 SCHEMBL10781474 | 1.00 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| Benzene SCHEMBL28083527 | 0.96 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| SCHEMBL453160 | 0.96 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| SCHEMBL30959 | 0.96 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| SCHEMBL9490577 | 0.96 | ALDH1A1 (0.67) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| Methane SCHEMBL23501806 | 0.92 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| SCHEMBL36869 | 0.92 | ALDH1A1 (0.72) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| SCHEMBL8404848 | 0.92 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| SCHEMBL2389596 | 0.92 | ALDH1A1 (0.72) | ALDH1A1L3MBTL1MAPTTDP1KDM4E | |
| Bromide SCHEMBL3328197 | 0.92 | ALDH1A1 (0.63) | ALDH1A1L3MBTL1MAPTTDP1KDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118515274-A | Preparation and application of triphenylene oxygen-enriched graded porous carbon nano-sheet electrode material | 北京化工大学常州先进材料研究院 | 2024-08-20 | — | — | CN | disclosed |
| CN-111007695-A | Photoresist composition and method for forming photoresist pattern | 台湾积体电路制造股份有限公司 | 2020-04-14 | — | — | CN | disclosed |
| CN-108470940-A | A kind of full stress-strain Magnesium ion battery and preparation method thereof | 上海交通大学 | 2018-08-31 | — | — | CN | disclosed |
| CN-107880509-A | Automobile using inner and outer decorative parts | 马自达汽车株式会社 | 2018-04-06 | — | — | CN | disclosed |
| CN-103459465-B | Method for producing polycarbonate resin | 三菱化学株式会社 | 2018-01-09 | — | — | CN | disclosed |
| CN-105264016-B | Reinforcing agent for polycarbonate resin, polycarbonate resin composition, and molded article | 三菱化学株式会社 | 2017-11-21 | — | — | CN | disclosed |
| CN-107108873-A | Polycarbonate resin | 三菱化学株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-104204876-B | Long retardation film, circularly polarizing plate, and organic EL panel | 日东电工株式会社 | 2017-08-25 | — | — | CN | disclosed |
| CN-107057320-A | Polycarbonate resin composition, and molded article, film, plate, and injection molded article obtained using same | 三菱化学株式会社 | 2017-08-18 | — | — | CN | disclosed |
| CN-104262926-B | Polycarbonate resin composition, and molded article, film, plate, and injection molded article obtained using same | 三菱化学株式会社 | 2017-04-12 | — | — | CN | disclosed |
| CN-106489085-A | Phase difference film, circularly polarizing plate, and image display device | 日东电工株式会社 | 2017-03-08 | — | — | CN | disclosed |
| CN-106471401-A | Phase difference film, circularly polarizing plate, and image display device | 日东电工株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-106461836-A | Phase difference film, circularly polarizing plate, and image display device | 日东电工株式会社 | 2017-02-22 | — | — | CN | disclosed |
| CN-105264016-A | Reinforcing agent for polycarbonate resin, polycarbonate resin composition, and molded article | MITSUBISHI CHEM CORP | 2016-01-20 | — | — | CN | disclosed |