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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
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 SCHEMBL719743 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL28135661 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL21433567 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL355268 | 1.00 | MEN1 (0.67) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL9655758 | 0.94 | MEN1 (0.60) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL9655753 | 0.94 | MEN1 (0.60) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL10566608 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL2590832 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| SCHEMBL194086 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR | |
| Water SCHEMBL28398822 | 0.94 | MEN1 (0.75) | MEN1KMT2ACA5ACA5BTSHR |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119900109-A | Stannate fiber with high-entropy rare earth pyrochlore structure and preparation method thereof | 石家庄铁道大学 | 2025-04-29 | — | — | CN | claimed |
| CN-119900109-A | Stannate fiber with high-entropy rare earth pyrochlore structure and preparation method thereof | 石家庄铁道大学 | 2025-04-29 | — | — | CN | disclosed |
| CN-119701994-A | Ferromanganese-based catalyst for preparing methyl methacrylate and preparation and application thereof | 中国科学院大连化学物理研究所 | 2025-03-28 | — | — | CN | disclosed |
| CN-116947914-A | Rare earth doped organotin metal cyclic oxygen sulfur cluster compound, crystalline and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2023-10-27 | — | — | CN | disclosed |
| CN-113929453-B | Rare earth-based heat-insulating porous high-entropy ceramic and preparation method thereof | 厦门稀土材料研究所 | 2023-07-14 | — | — | CN | disclosed |
| CN-113929453-A | Rare earth-based heat-insulating porous high-entropy ceramic and preparation method thereof | 厦门稀土材料研究所 | 2022-01-14 | — | — | CN | disclosed |
| US-6649789-B2 | From acetic acid, ethylene and oxygen or oxygen-containing gases; catalyst selectivity | CELANESE CHEMICALS EUROPE GMBH (DE) | 2003-11-18 | — | — | US | disclosed |
| US-6579824-B1 | Selectivity for vinyl acetate | CELANESE CHEMICALS EUROPE GMBH (DE) | 2003-06-17 | — | — | US | disclosed |
| US-20020198404-A1 | Catalyst based on palladium, gold, alkali metal and lanthanoid and process for preparing vinyl acetate | CELANESE CHEMICALS EUROPE GMBH | 2002-12-26 | — | — | US | disclosed |
| EP-0462206-B1 | EXPANDED PORPHYRINS: LARGE PORPHYRIN-LIKE TRIPYRROLEDIMETHINE-DERIVED MACROCYCLES | UNIV TEXAS (US) | 1998-07-29 | — | — | EP | disclosed |
| US-5587463-A | INACTIVATION OR DESTRUCTION OF HUMAN IMMUNODEFICIENCY VIRUS, MONONUCLEAR OR OTHER CELLS INFECTED WITH SUCH VIRUS, AND TUMOR CELLS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-12-24 | — | — | US | disclosed |
| US-5525325-A | FORM METAL COMPLEXES ACTIVE AS PHOTOSENSITIZERS WHICH ARE STABLE AND WATER SOLUBLE | BOARD OF REGENTS, UNIVERSITY OF TEXAS (US) | 1996-06-11 | — | — | US | disclosed |
| US-5369101-A | Expanded porphyrins: large porphyrin-like tripyrroledimethine-derived macrocycles | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1994-11-29 | — | — | US | disclosed |
| US-5292414-A | Photosensitization | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1994-03-08 | — | — | US | disclosed |
| US-5272142-A | Expanded porphyrins: large porphyrin-like tripyrroledimethine-derived macrocycles and methods for treating tumors | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-12-21 | — | — | US | disclosed |
| US-5256399-A | Metallotexaphyrin complexes as photosensitizers for generation of singlet oxygen for destruction of human immunodeficiency virus | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-10-26 | — | — | US | disclosed |
| US-5162509-A | Process for preparing expanded porphyrins: large porphyrin-like tripyrroledimethine-derived macrocycles | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-11-10 | — | — | US | disclosed |
| EP-0462206-A1 | EXPANDED PORPHYRINS: LARGE PORPHYRIN-LIKE TRIPYRROLEDIMETHINE-DERIVED MACROCYCLES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1991-12-27 | — | — | EP | disclosed |
| WO-1990010633-A1 | EXPANDED PORPHYRINS: LARGE PORPHYRIN-LIKE TRIPYRROLEDIMETHINE-DERIVED MACROCYCLES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1990-09-20 | — | — | WO | disclosed |
| US-4935498-A | Expanded porphyrins: large porphyrin-like tripyrroledimethine-derived macrocycles | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1990-06-19 | — | — | US | disclosed |