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 | 3/20 | 0.61 |
| ▸ | CHRM3 known ✓ | P20309 | 2/20 | 0.36 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.35 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.35 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.35 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
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 SCHEMBL27613448 | 0.98 | HTT (0.58) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL14762882 | 0.98 | ALDH1A1 (0.62) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL139563 | 0.98 | ALDH1A1 (0.62) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27810167 | 0.95 | ALDH1A1 (0.60) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL27795002 | 0.95 | ALDH1A1 (0.60) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL925089 | 0.95 | DNM1 (0.59) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8067974 | 0.93 | KDM4E (0.58) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Water SCHEMBL2959266 | 0.93 | DNM1 (0.57) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Bromide SCHEMBL4071102 | 0.93 | DNM1 (0.60) | HTTMEN1KMT2AKDM4EALDH1A1 | |
| Iodide SCHEMBL5088129 | 0.93 | DNM1 (0.57) | HTTMEN1KMT2AKDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107109799-A | Papermaking aid composition and method for improving tensile strength of paper | 艺康美国股份有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-104327218-B | A kind of preparation method of PAMC aqueous emulsion | 山东德仕石油工程集团股份有限公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-103974987-B | Segmented copolymer, dispersion agent and pigment dispensing composition | OTSUKA CHEMICAL CO.,LTD. (JP) | 2015-12-02 | — | — | CN | disclosed |
| CN-103974987-A | Block copolymer, dispersing agent, and pigment dispersion composition | OTSUKA CHEMICAL CO LTD | 2014-08-06 | — | — | CN | disclosed |
| WO-1988003157-A1 | OPEN-GRADED ASPHALT | CHEVRON RESEARCH COMPANY (US) | 1988-05-05 | — | — | WO | disclosed |