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 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | NT5E | P21589 | 2/20 | 0.50 |
| ▸ | GUSB | P08236 | 1/20 | 0.49 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.49 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.49 |
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 SCHEMBL20573516 | 1.00 | KMT2A (0.57) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| Water SCHEMBL29684003 | 1.00 | KMT2A (0.57) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| SCHEMBL63183 | 0.98 | KMT2A (0.59) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| SCHEMBL1363964 | 0.98 | KMT2A (0.59) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| SCHEMBL3660349 | 0.96 | KMT2A (0.61) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| SCHEMBL11572072 | 0.96 | KMT2A (0.57) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| SCHEMBL11572065 | 0.96 | KMT2A (0.57) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| SCHEMBL3148713 | 0.96 | KMT2A (0.57) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| Hydrochloric Acid SCHEMBL4449301 | 0.96 | KMT2A (0.57) | KMT2AMEN1ALDH1A1MAPK1HIF1A | |
| Bromide SCHEMBL27497723 | 0.96 | KMT2A (0.57) | KMT2AMEN1ALDH1A1MAPK1HIF1A |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112062773-B | Method for acid-catalyzed cyclization reaction of 4-hydroxycoumarin and isoprene | 中国科学院大连化学物理研究所 | 2021-11-26 | — | — | CN | claimed |
| CN-112920156-A | Method for acid-catalyzed ring 1, 3-diketone isoamylene reaction | 中国科学院大连化学物理研究所 | 2021-06-08 | — | — | CN | claimed |
| CN-112062773-A | Method for acid-catalyzed cyclization reaction of 4-hydroxycoumarin and isoprene | 中国科学院大连化学物理研究所 | 2020-12-11 | — | — | CN | claimed |
| CN-105482577-A | Durable environment-friendly latex paint and preparation method thereof | QU SHAOCHUN | 2016-04-13 | — | — | CN | claimed |
| US-6495243-B1 | Recording substrates for ink jet printing | XEROX CORPORATION | 2002-12-17 | — | — | US | claimed |
| US-6372030-B1 | INK VEHICLE SELECTED FROM 4-(HEXADECYLAMINO)BENZYLAMINE, N-OCTANOYL-N-METHYL GLUCAMINE, OCTANOIC HYDRAZIDE, 4-HEXADECYL SULFONYL ANILINE, A CONDUCTIVE COMPLEX OF AN AMINE COMPOUND WITH A PHOSPHORUS OR SULFUR-CONTAINING ACID | XEROX CORPORATION | 2002-04-16 | — | — | US | claimed |
| WO-2025137439-A2 | ENGINEERED T CELLS | INTELLIA THERAPEUTICS, INC. (US) | 2025-06-26 | — | — | WO | disclosed |
| CN-112920156-B | Method for acid-catalyzed ring 1,3-diketone isoamylene reaction | 中国科学院大连化学物理研究所 | 2023-02-28 | — | — | CN | disclosed |
| CN-112062773-B | Method for acid-catalyzed cyclization reaction of 4-hydroxycoumarin and isoprene | 中国科学院大连化学物理研究所 | 2021-11-26 | — | — | CN | disclosed |
| CN-112920156-A | Method for acid-catalyzed ring 1, 3-diketone isoamylene reaction | 中国科学院大连化学物理研究所 | 2021-06-08 | — | — | CN | disclosed |
| CN-112062773-A | Method for acid-catalyzed cyclization reaction of 4-hydroxycoumarin and isoprene | 中国科学院大连化学物理研究所 | 2020-12-11 | — | — | CN | disclosed |
| CN-105482577-A | Durable environment-friendly latex paint and preparation method thereof | QU SHAOCHUN | 2016-04-13 | — | — | CN | disclosed |
| US-6509393-B2 | Phase change inks | XEROX CORPORATION | 2003-01-21 | — | — | US | disclosed |
| US-5196411-A | 17β-acyl-3-carboxy-androsta-3,5-dienes as testosterone 5α-reductase inhibitors | MERCK & CO., INC. (US) | 1993-03-23 | — | — | US | disclosed |
| EP-0528485-A1 | 17Beta-acyl-3-androsta-3,5-dienes as testosterone 5alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1993-02-24 | — | — | EP | disclosed |
| US-5091380-A | N-monosubstituted adamantyl/norbornanyl 17β-carbamides of 3-carboxy-androst-3,5-dienes as testosterone 5α-reductase inhibitors | MERCK & CO., INC. (US) | 1992-02-25 | — | — | US | disclosed |
| EP-0465142-A1 | 17Beta-acyl-3-carboxy-androsta-3, 5-dienes as testosterone 5alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1992-01-08 | — | — | EP | disclosed |
| EP-0465141-A2 | N-monosubstituted adamantyl/norbornanyl 17beta-carbamides of3-carboxy-androst-3,5-dienes | MERCK & CO. INC. (US) | 1992-01-08 | — | — | EP | disclosed |
| EP-0465123-A2 | New intermediates in the synthesis of 17beta-acyl-3-carboxy-androsta-3,5-dienes | MERCK & CO. INC. (US) | 1992-01-08 | — | — | EP | disclosed |
| US-5075450-A | Intermediates in the synthesis of 17β-acyl-3-carboxy-androsta-3,5-dienes | MERCK & CO., INC. (US) | 1991-12-24 | — | — | US | disclosed |