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.
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 | |
|---|---|---|---|---|
| SCHEMBL565484 | 0.97 | — | — | |
| SCHEMBL456709 | 0.97 | — | — | |
| SCHEMBL21114361 | 0.97 | GABRR1 (0.65) | — | |
| SCHEMBL2191 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27599300 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL463250 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27603637 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL2582220 | 0.94 | — | — | |
| Ethylenediamine SCHEMBL8828910 | 0.91 | GABRR1 (0.67) | — | |
| Lactic Acid SCHEMBL16915286 | 0.88 | TP53 (0.61) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250084074-A1 | SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS | MERCK PATENT GMBH (DE) | 2025-03-13 | — | — | US | disclosed |
| CN-119421877-A | Substituted heterocyclic compounds as HSET inhibitors | 默克专利股份公司 | 2025-02-11 | — | — | CN | disclosed |
| EP-4463444-A1 | SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS | Merck Patent GmbH (DE) | 2024-11-20 | — | — | EP | disclosed |
| WO-2023131690-A1 | SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS | MERCK PATENT GMBH (DE) | 2023-07-13 | — | — | WO | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-10669538-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2020-06-02 | — | — | US | disclosed |
| US-20170198283-A1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION A/S (DK) | 2017-07-13 | — | — | US | disclosed |
| US-9688980-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION (DK) | 2017-06-27 | — | — | US | disclosed |
| EP-2305808-B1 | Templated molecules and methods for using such molecules | NUEVOLUTION AS (DK) | 2016-03-02 | — | — | EP | disclosed |
| EP-1905829-B1 | Templated molecules and methods for using such molecules | NUEVOLUTION AS (DK) | 2016-02-17 | — | — | EP | disclosed |
| US-8932992-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2015-01-13 | — | — | US | disclosed |
| EP-2305808-A1 | Templated molecules and methods for using such molecules | Nuevolution A/S (DK) | 2011-04-06 | — | — | EP | disclosed |
| US-7727713-B2 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2010-06-01 | — | — | US | disclosed |
| US-20100016177-A1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION A/S (DK) | 2010-01-21 | — | — | US | disclosed |
| EP-1905829-A2 | Templated molecules and methods for using such molecules | Nuevolution A/S (DK) | 2008-04-02 | — | — | EP | disclosed |
| EP-1402024-B1 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION AS (DK) | 2007-08-22 | — | — | EP | disclosed |
| CN-1539014-A | Templated molecules and methods for using such molecules | ŦΤ¬ɭ��˾ | 2004-10-20 | — | — | CN | disclosed |
| EP-1402024-A2 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | Nuevolution A/S (DK) | 2004-03-31 | — | — | EP | disclosed |
| US-20040049008-A1 | Templated molecules and methods for using such molecules | NUEVOLUTION A/S (DK) | 2004-03-11 | — | — | US | disclosed |
| WO-2002103008-A2 | TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES | NUEVOLUTION A/S (DK) | 2002-12-27 | — | — | WO | disclosed |