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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 6/20 | 0.55 |
| ▸ | TLR2 | O60603 | 2/20 | 0.53 |
| ▸ | MDM4 | O15151 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SLC17A5 | Q9NRA2 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
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 SCHEMBL27041760 | 1.00 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| Water SCHEMBL29412096 | 1.00 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| Water SCHEMBL31472478 | 1.00 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| Water SCHEMBL7606514 | 1.00 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| SCHEMBL29792120 | 0.99 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| SCHEMBL29374829 | 0.99 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| SCHEMBL117964 | 0.99 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| SCHEMBL29768913 | 0.99 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| SCHEMBL120511 | 0.99 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 | |
| SCHEMBL30649315 | 0.99 | MDM2 (0.55) | MDM2TLR2MDM4TP53CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20260118357-A1 | TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2026-04-30 | — | — | US | disclosed |
| US-12018093-B2 | Hemiasterlin derivatives and antibody-drug conjugates including same | Sumitomo Pharma Co., Ltd. (JP) | 2024-06-25 | — | — | US | disclosed |
| EP-4321523-A2 | HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME | Sumitomo Pharma Co., Ltd. (JP) | 2024-02-14 | — | — | EP | disclosed |
| US-20220202948-A1 | Agent for Eliminating Pluripotent Stem Cells | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2022-06-30 | — | — | US | disclosed |
| CN-113924304-A | Tetrafunctional chemical probe and method for identifying target membrane proteins from living cells or living tissue using the same | 大塚制药株式会社 | 2022-01-11 | — | — | CN | disclosed |
| WO-2020166613-A1 | AGENT FOR ELIMINATING PLURIPOTENT STEM CELLS | 大日本住友製薬株式会社 | 2020-08-20 | — | — | WO | disclosed |
| US-20200247845-A1 | Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same | SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) | 2020-08-06 | — | — | US | disclosed |
| EP-3666788-A1 | HEMIASTERLIN DERIVATIVES AND ANTIBODY-DRUG CONJUGATES INCLUDING SAME | Sumitomo Dainippon Pharma Co., Ltd. (JP) | 2020-06-17 | — | — | EP | 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 (4 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-20220202948-A1 | Agent for Eliminating Pluripotent Stem Cells | POU5F1, POU2F1, POU2F2 | MDM2 4189/4885TLR2 3853/4885MDM4 3239/4885 |
| US-20200247845-A1 | Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same | FCGRT, QARS1, INHA | MDM2 1173/4885TLR2 2584/4885MDM4 2717/4885 |
| US-12018093-B2 | Hemiasterlin derivatives and antibody-drug conjugates including same | FCGRT, QARS1, INHA | MDM2 1173/4885TLR2 2584/4885MDM4 2717/4885 |
| US-20260118357-A1 | TETRA-FUNCTIONAL CHEMICAL PROBE AND METHOD FOR IDENTIFYING TARGET MEMBRANE PROTEIN FROM LIVING CELL OR LIVING TISSUE BY USING SAID PROBE | BTD, FABP2, FABP3 | MDM2 1924/4885TLR2 3251/4885MDM4 4409/4885 |
“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.