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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK known ✓ | P43405 | 1/20 | 0.56 |
| ▸ | ITGB3 known ✓ | P05106 | 2/20 | 0.51 |
| ▸ | ITGA2B known ✓ | P08514 | 2/20 | 0.51 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 4/20 | 0.56 |
| ▸ | CTSS | P25774 | 6/20 | 0.55 |
| ▸ | CTSL | P07711 | 4/20 | 0.55 |
| ▸ | CTSB | P07858 | 3/20 | 0.55 |
| ▸ | CTSK | P43235 | 5/20 | 0.53 |
| ▸ | PPARG | P37231 | 3/20 | 0.51 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | KLK7 | P49862 | 1/20 | 0.51 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.51 |
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 SCHEMBL2580712 | 1.00 | PPARA (0.56) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL478289 | 0.99 | PPARA (0.57) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL2775895 | 0.99 | PPARA (0.57) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL1143898 | 0.99 | PPARA (0.57) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL14037216 | 0.94 | CTSK (0.53) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL29398102 | 0.91 | SYK (0.57) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL31326039 | 0.91 | CTSL (0.57) | CTSSCTSLCTSBCTSKITGB3 | |
| SCHEMBL19694832 | 0.90 | KYNU (0.56) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL14680593 | 0.90 | SYK (0.56) | PPARASYKCTSSCTSLCTSB | |
| SCHEMBL4256075 | 0.90 | KYNU (0.56) | PPARASYKCTSSCTSLCTSB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116829949-A | Compositions for detecting or measuring analytes | 伯蒂斯有限公司 | 2023-09-29 | — | — | CN | disclosed |
| EP-4247801-A1 | 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS | Merck Sharp & Dohme LLC (US) | 2023-09-27 | — | — | EP | disclosed |
| WO-2023075435-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTE | 주식회사 베르티스 | 2023-05-04 | — | — | WO | disclosed |
| US-20220283131-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTES | BERTIS CO., LTD. (KR) | 2022-09-08 | — | — | US | disclosed |
| EP-4010314-A1 | HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2022-06-15 | — | — | EP | disclosed |
| WO-2022109117-A1 | 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2022-05-27 | — | — | WO | disclosed |
| WO-2022050529-A1 | COMPOSITION FOR DETECTING OR MEASURING ANALYTE | ㈜베르티스 | 2022-03-10 | — | — | WO | disclosed |