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 | 3/20 | 0.83 |
| ▸ | NOD2 known ✓ | Q9HC29 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.96 |
| ▸ | CA9 | Q16790 | 2/20 | 0.96 |
| ▸ | CA1 | P00915 | 1/20 | 0.96 |
| ▸ | CA2 | P00918 | 1/20 | 0.96 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.83 |
| ▸ | GAA | P10253 | 2/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.71 |
| ▸ | PKM | P14618 | 1/20 | 0.71 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.71 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.70 |
| ▸ | IL1RN | P18510 | 1/20 | 0.70 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.70 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.66 |
| ▸ | GFER | P55789 | 2/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | HPGD | P15428 | 2/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL19119164 | 0.98 | CA12 (1.00) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL322990 | 0.98 | CA12 (1.00) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL27824001 | 0.96 | CA12 (0.96) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL28689444 | 0.96 | CA12 (0.96) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL13167620 | 0.93 | CA12 (0.89) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL92717 | 0.91 | KMT2A (1.00) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL1952693 | 0.91 | KMT2A (1.00) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL9479370 | 0.91 | KMT2A (1.00) | CA12CA9CA1CA2KMT2A | |
| SCHEMBL806766 | 0.90 | CA12 (0.85) | CA12CA9CA1CA2KMT2A | |
| Ammonia Solution, Strong SCHEMBL15741206 | 0.90 | KMT2A (0.97) | CA12CA9CA1CA2KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2046793-A2 | FUSED PYRIMIDO COMPOUNDS | AstraZeneca AB (SE) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008003958-A2 | FUSED PYRIMIDO COMPOUNDS | ASTRAZENECA AB (SE) | 2008-01-10 | — | — | WO | disclosed |