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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.36 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.36 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.33 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.33 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | METAP2 | P50579 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | COMT | P21964 | 1/20 | 0.36 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.35 |
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 SCHEMBL7386465 | 1.00 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 | |
| Water SCHEMBL8505796 | 1.00 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 | |
| Water SCHEMBL30013063 | 1.00 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 | |
| SCHEMBL18306 | 0.98 | ACHE (0.41) | ACHEALDH1A1GAAMETAP2MMP2 | |
| SCHEMBL29521417 | 0.98 | ACHE (0.41) | ACHEALDH1A1GAAMETAP2MMP2 | |
| Potassium SCHEMBL6156466 | 0.96 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 | |
| Hydrochloric Acid SCHEMBL3033538 | 0.96 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 | |
| SCHEMBL6827565 | 0.96 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 | |
| Ammonia Solution, Strong SCHEMBL873881 | 0.96 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 | |
| SCHEMBL6156461 | 0.96 | ACHE (0.40) | ACHEALDH1A1GAAMETAP2MMP2 |
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
Appears in 4287 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250340518-A1 | PROCESS FOR PREPARATION OF SELUMETINIB AND SALTS THEREOF | GLENMARK LIFE SCIENCES LTD (IN) | 2025-11-06 | — | — | US | claimed |
| US-20250250281-A1 | PROCESS FOR PREPARATION OF RELUGOLIX | ALIVUS LIFE SCIENCES LIMITED (IN) | 2025-08-07 | — | — | US | claimed |
| EP-4536226-A1 | PROCESS FOR PREPARATION OF SELUMETINIB AND SALTS THEREOF | Alivus Life Sciences Limited (IN) | 2025-04-16 | — | — | EP | claimed |
| US-20240351989-A1 | PROCESS FOR THE PREPARATION OF OLAPARIB, AND CRYSTALLINE FORM THEREOF | ALIVUS LIFE SCIENCES LIMITED (IN) | 2024-10-24 | — | — | US | claimed |
| EP-4384501-A1 | PROCESS FOR THE PREPARATION OF OLAPARIB, AND CRYSTALLINE FORM THEREOF | Glenmark Life Sciences Limited (IN) | 2024-06-19 | — | — | EP | claimed |
| WO-2023238000-A1 | PROCESS FOR PREPARATION OF SELUMETINIB AND SALTS THEREOF | GLENMARK LIFE SCIENCES LIMITED (IN) | 2023-12-14 | — | — | WO | claimed |
| CN-110637007-B9 | Synthesis of tyrosine-derived diphenol monomers | 美敦力公司 | 2023-08-15 | — | — | CN | claimed |
| CN-110637007-B | Synthesis of tyrosine-derived diphenol monomers | 美敦力公司 | 2023-06-16 | — | — | CN | claimed |
| WO-2023017393-A1 | PROCESS FOR THE PREPARATION OF OLAPARIB, AND CRYSTALLINE FORM THEREOF | GLENMARK LIFE SCIENCES LIMITED (IN) | 2023-02-16 | — | — | WO | claimed |
| EP-3634944-B1 | SYNTHESIS OF TYROSINE DERIVED DIPHENOL MONOMERS | MEDTRONIC INC (US) | 2022-06-29 | — | — | EP | claimed |
| EP-0808181-A1 | PROCESS FOR THE COATING OF OBJECTS WITH HYALURONIC ACID, DERIVATIVES THEREOF, AND SEMISYNTHETIC POLYMERS | FIDIA ADVANCED BIOPOLYMERS S.R.L. (IT) | 1997-11-26 | — | — | EP | claimed |
| EP-0775116-A1 | CARBAMAZEPINE HYDRAZIDES USEFUL IN IMMUNOASSAYS | Dade Chemistry Systems Inc. (US) | 1997-05-28 | — | — | EP | claimed |
| WO-1996040642-A1 | CARBAMAZEPINE HYDRAZIDES USEFUL IN IMMUNOASSAYS | DADE CHEMISTRY SYSTEMS INC. (US) | 1996-12-19 | — | — | WO | claimed |
| WO-1996024392-A1 | PROCESS FOR THE COATING OF OBJECTS WITH HYALURONIC ACID, DERIVATIVES THEREOF, AND SEMISYNTHETIC POLYMERS | FIDIA ADVANCED BIOPOLYMERS, S.R.L. (IT) | 1996-08-15 | — | — | WO | claimed |
| EP-0587715-A4 | WATER INSOLUBLE DERIVATIVES OF POLYANIONIC POLYSACCHARIDES. | GENZYME CORP (US) | 1995-08-09 | — | — | EP | claimed |
| WO-1994020483-A1 | PROCESS TO DERIVATIVES OF PIPERIZINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS | MERCK & CO., INC. (US) | 1994-09-15 | — | — | WO | claimed |
| EP-0614894-A1 | Process for the synthesis of substituted amide derivatives of piperazinylcamphorsulfonyl oxytocin antagonists | MERCK & CO. INC. (US) | 1994-09-14 | — | — | EP | claimed |
| EP-0587715-A1 | WATER INSOLUBLE DERIVATIVES OF POLYANIONIC POLYSACCHARIDES | GENZYME CORPORATION (US) | 1994-03-23 | — | — | EP | claimed |
| WO-1992020349-A1 | WATER INSOLUBLE DERIVATIVES OF POLYANIONIC POLYSACCHARIDES | GENZYME CORPORATION (US) | 1992-11-26 | — | — | WO | claimed |
| EP-0295833-A1 | Aromatic-Spiropiperidine oxazepinones (and thiones) | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1988-12-21 | — | — | EP | claimed |