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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 2/20 | 0.67 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.44 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 SCHEMBL6470439 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL18302915 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL20379105 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL11776352 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL20379492 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL8390218 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL5479865 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL15674347 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL3446877 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT | |
| Water SCHEMBL28139980 | 1.00 | THRB (0.67) | THRBHTTMEN1KMT2AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104641017-B | Electroless plating substrate agent | 日产化学工业株式会社 | 2018-06-15 | — | — | CN | disclosed |
| US-20100255121-A1 | Hard Surface Treatment Compositions with Improved Mold or Fungi Remediation Properties | RECKITT & COLMAN (OVERSEAS) LIMITED (GB) | 2010-10-07 | — | — | US | disclosed |
| US-20100249199-A1 | Hard Surface Treatment Compositions with Improved Mold or Fungi Remediation Properties | RECKITT & COLMAN (OVERSEAS) LIMITED (GB) | 2010-09-30 | — | — | US | disclosed |
| US-4856502-A | ORTHOPEDIC CASTING MATERIALS OF APERTURE-CONTAINING | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1989-08-15 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100249199-A1 | Hard Surface Treatment Compositions with Improved Mold or Fungi Remediation Properties | DPM1, POLR1C, HAO2 | THRB 3852/4885MEN1 1811/4885HTT 1809/4885 |
| US-20100255121-A1 | Hard Surface Treatment Compositions with Improved Mold or Fungi Remediation Properties | DPM1, POLR1C, HAO2 | THRB 3852/4885MEN1 1811/4885HTT 1809/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.