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 | |
|---|---|---|---|---|
| ▸ | HTR6 known ✓ | P50406 | 2/20 | 0.49 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.96 |
| ▸ | CA4 | P22748 | 2/20 | 0.96 |
| ▸ | CA7 | P43166 | 2/20 | 0.96 |
| ▸ | CA9 | Q16790 | 2/20 | 0.96 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.96 |
| ▸ | CA3 | P07451 | 1/20 | 0.96 |
| ▸ | CA6 | P23280 | 1/20 | 0.96 |
| ▸ | CA5A | P35218 | 1/20 | 0.96 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.96 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.93 |
| ▸ | TSHR | P16473 | 3/20 | 0.93 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.93 |
| ▸ | RECQL | P46063 | 1/20 | 0.93 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | IDO1 | P14902 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29634851 | 0.98 | CA12 (1.00) | CA12CA4CA7CA9CA14 | |
| SCHEMBL233681 | 0.98 | CA12 (1.00) | CA12CA4CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL28436110 | 0.96 | ALDH1A1 (1.00) | CA12CA4CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL336183 | 0.96 | ALDH1A1 (1.00) | CA12CA4CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL29462545 | 0.96 | ALDH1A1 (1.00) | CA12CA4CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL8749395 | 0.96 | ALDH1A1 (1.00) | CA12CA4CA7CA9CA14 | |
| SCHEMBL1684270 | 0.96 | CA12 (0.96) | CA12CA4CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL10896568 | 0.96 | ALDH1A1 (1.00) | CA12CA4CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL180592 | 0.96 | ALDH1A1 (1.00) | CA12CA4CA7CA9CA14 | |
| Hydrochloric Acid SCHEMBL29352235 | 0.96 | ALDH1A1 (1.00) | CA12CA4CA7CA9CA14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113880963-B | Phellinus igniarius polysaccharides and preparation method and application thereof | 上海市农业科学院 | 2023-04-18 | — | — | CN | disclosed |
| CN-115028754-A | Sulfated hericium erinaceus sporophore beta-glucan, sulfated beta-glucan-chitosan nanoparticle and preparation method and application thereof | 上海市农业科学院 | 2022-09-09 | — | — | CN | disclosed |
| CN-113588768-B | Mass spectrometry method for quantifying endogenous metabolites in tissues in molecular image mode | 国家卫生健康委科学技术研究所 | 2022-07-05 | — | — | CN | disclosed |
| CN-111704679-B | Beta-glucan of hericium erinaceus fermentation mycelium and preparation method and application thereof | 上海市农业科学院 | 2022-04-05 | — | — | CN | disclosed |
| CN-113880963-A | Phellinus igniarius polysaccharides and preparation method and application thereof | 上海市农业科学院 | 2022-01-04 | — | — | CN | disclosed |
| CN-109364130-B | Application of spina gleditsiae counterfeit product in preparation of antioxidant | 深圳市药品检验研究院（深圳市医疗器械检测中心） | 2021-11-09 | — | — | CN | disclosed |
| CN-113588768-A | Mass spectrometry method for quantifying endogenous metabolites in tissues in molecular image mode | 国家卫生健康委科学技术研究所 | 2021-11-02 | — | — | CN | disclosed |
| CN-107739230-B | Method for improving hericium erinaceus polysaccharide yield and enhancing activity of macrophage in producing NO | 上海市农业科学院 | 2020-06-23 | — | — | CN | disclosed |