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 | 2/20 | 0.41 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.41 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ASPH | Q12797 | 2/20 | 0.38 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.38 |
| ▸ | ALKBH5 | Q6P6C2 | 2/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.38 |
| ▸ | KDM5A | P29375 | 2/20 | 0.38 |
| ▸ | KDM3A | Q9Y4C1 | 2/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | TET3 | O43151 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956058 | 0.98 | HCAR2 (0.52) | HCAR2MEN1KMT2AKDM4ENAPRT | |
| SCHEMBL3456606 | 0.98 | HCAR2 (0.52) | HCAR2MEN1KMT2AKDM4ENAPRT | |
| SCHEMBL18104371 | 0.80 | ALDH1A1 (0.44) | HCAR2MEN1KMT2AALDH1A1 | |
| SCHEMBL1134519 | 0.76 | CNR1 (0.41) | HCAR2MEN1KMT2AKDM4EL3MBTL1 | |
| SCHEMBL9422315 | 0.71 | CNR2 (0.31) | KDM4ELMNASMN1; SMN2TDP1 | |
| Acipimox SCHEMBL31290731 | 0.69 | HCAR2 (0.96) | HCAR2MEN1KMT2AKDM4ENAPRT | |
| Acipimox SCHEMBL28273592 | 0.69 | HCAR2 (0.96) | HCAR2MEN1KMT2AKDM4ENAPRT | |
| SCHEMBL9617684 | 0.67 | — | — | |
| Acipimox SCHEMBL6057382 | 0.67 | HCAR2 (1.00) | HCAR2MEN1KMT2AKDM4ENAPRT | |
| Acipimox SCHEMBL29370131 | 0.67 | HCAR2 (1.00) | HCAR2MEN1KMT2AKDM4ENAPRT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0201934-B1 | PROCESS FOR THE PREPARATION OF 2-CARBOXYPYRAZINES 4-OXIDE | Montedison S.p.A. (IT) | 1991-12-11 | — | — | EP | disclosed |
| US-4866178-A | Process for the preparation of 2-carboxypyrazine 4-oxides | MONTEDISON S.P.A. (IT) | 1989-09-12 | — | — | US | disclosed |
| EP-0201934-A2 | Process for the preparation of 2-carboxypyrazines 4-oxide | Montedison S.p.A. (IT) | 1986-11-20 | — | — | EP | disclosed |