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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.40 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.40 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 2/20 | 0.68 |
| ▸ | IGF2R | P11717 | 4/20 | 0.64 |
| ▸ | AMDHD2 | Q9Y303 | 1/20 | 0.49 |
| ▸ | B4GALT1 | P15291 | 1/20 | 0.40 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.40 |
| ▸ | DNPH1 | O43598 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.40 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29670079 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL18710785 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL17072582 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL17070614 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL8847405 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL15344536 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL15333849 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL15341627 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL1266885 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 | |
| SCHEMBL29749769 | 0.98 | FBP1 (0.70) | FBP1IGF2RAMDHD2B4GALT1P2RY14 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119662774-A | Method for quantitatively detecting pyrophosphate | 益诺思生物技术南通有限公司 | 2025-03-21 | — | — | CN | disclosed |