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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 17/20 | 0.84 |
| ▸ | PLA2G10 | O15496 | 8/20 | 0.84 |
| ▸ | PLA2G2E | Q9NZK7 | 8/20 | 0.84 |
| ▸ | PLA2G1B | P04054 | 8/20 | 0.84 |
| ▸ | PLA2G2D | Q9UNK4 | 7/20 | 0.84 |
| ▸ | PLA2G2F | Q9BZM2 | 6/20 | 0.84 |
| ▸ | PLA2G5 | P39877 | 5/20 | 0.84 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.58 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.58 |
| ▸ | PLA2G12B | Q9BX93 | 1/20 | 0.58 |
| ▸ | PLA2G12A | Q9BZM1 | 1/20 | 0.58 |
| ▸ | PLA2G3 | Q9NZ20 | 1/20 | 0.58 |
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 SCHEMBL5159364 | 1.00 | PLA2G2A (0.84) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| SCHEMBL14608056 | 0.99 | PLA2G2A (0.86) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| SCHEMBL5157654 | 0.92 | PLA2G2A (1.00) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| SCHEMBL5530394 | 0.88 | PLA2G2A (1.00) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| SCHEMBL6333315 | 0.83 | PLA2G2A (1.00) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| SCHEMBL6331252 | 0.83 | PLA2G2A (1.00) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| Varespladib Methyl SCHEMBL25678 | 0.81 | PLA2G2A (0.83) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| Varespladib Methyl SCHEMBL29378302 | 0.81 | PLA2G2A (0.83) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| SCHEMBL8033990 | 0.80 | PLA2G2A (0.67) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D | |
| SCHEMBL5162558 | 0.79 | PLA2G2A (0.63) | PLA2G2APLA2G10PLA2G2EPLA2G1BPLA2G2D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1358156-B1 | BENZ(G) INDOLES AND THEIR USE AS SPLA2 INHIBITORS | LILLY CO ELI (US) | 2007-02-21 | — | — | EP | claimed |
| US-6916840-B2 | Spla2 inhibitors | ELI LILLY AND COMPANY (US) | 2005-07-12 | — | — | US | claimed |
| US-20040063967-A1 | Novel spla2 inhibitors | BEIGHT DOUGLAS WADE (US) | 2004-04-01 | — | — | US | claimed |
| EP-1358156-B1 | BENZ(G) INDOLES AND THEIR USE AS SPLA2 INHIBITORS | LILLY CO ELI (US) | 2007-02-21 | — | — | EP | disclosed |
| US-6916840-B2 | Spla2 inhibitors | ELI LILLY AND COMPANY (US) | 2005-07-12 | — | — | US | disclosed |
| US-20040063967-A1 | Novel spla2 inhibitors | BEIGHT DOUGLAS WADE (US) | 2004-04-01 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040063967-A1 | Novel spla2 inhibitors | PLA2G12A, SPINT2, PLA2G4A | PLA2G2A 16/4885PLA2G10 18/4885PLA2G2E 5/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.