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 2)
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 | |
|---|---|---|---|---|
| Etalocib SCHEMBL29379752 | 0.94 | LTB4R (1.00) | LTB4RLTB4R2 | |
| Etalocib SCHEMBL1649516 | 0.94 | LTB4R (1.00) | LTB4RLTB4R2 | |
| Etalocib SCHEMBL6356831 | 0.94 | LTB4R (0.98) | LTB4RLTB4R2 | |
| Etalocib SCHEMBL4306319 | 0.94 | LTB4R (0.98) | LTB4RLTB4R2 | |
| SCHEMBL6898153 | 0.93 | LTB4R (1.00) | LTB4RLTB4R2 | |
| SCHEMBL15277773 | 0.93 | LTB4R (0.89) | LTB4RLTB4R2 | |
| SCHEMBL8589903 | 0.92 | LTB4R (0.88) | LTB4RLTB4R2 | |
| SCHEMBL6899046 | 0.92 | LTB4R (1.00) | LTB4RLTB4R2 | |
| SCHEMBL6899051 | 0.89 | LTB4R (1.00) | LTB4RLTB4R2 | |
| SCHEMBL6897565 | 0.89 | LTB4R (1.00) | LTB4RLTB4R2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6673813-B2 | INHIBITING MEMBRANE TRANSPORT MEDIATED BY THE MULTIDRUG RESISTANCE ASSOCIATED PROTEIN MRP IN A PATIENT BY ADMINISTERING A COMPOUND HAVING AN AMPHIPHILIC ANION AND A MOLECULAR WEIGHT OF FROM 300 TO 950 DALTONS. | JEDLITSCHKY GABRIELE (DE) | 2004-01-06 | — | — | US | disclosed |
| US-20020013370-A1 | Methods for identifying and treating resistant tumors | SAWYER JASON SCOTT (US) | 2002-01-31 | — | — | US | disclosed |
| US-20020010213-A1 | Methods for identifying and treating resistant tumors | SAWYER JASON SCOTT (US) | 2002-01-24 | — | — | US | disclosed |
| EP-1129707-A2 | Methods for identifying and treating resistant tumors | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 2001-09-05 | — | — | EP | disclosed |
| US-6235785-B1 | DRUG RESISTANCE | ELI LILLY AND COMPANY | 2001-05-22 | — | — | US | disclosed |
| EP-0544488-B1 | Substituted phenyl phenol leukotriene antagonists | LILLY CO ELI (US) | 1998-03-11 | — | — | EP | disclosed |
| EP-0777472-A2 | METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS | ELI LILLY AND COMPANY (US) | 1997-06-11 | — | — | EP | disclosed |
| WO-1996036347-A1 | USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE | ELI LILLY AND COMPANY (US) | 1996-11-21 | — | — | WO | disclosed |
| EP-0743064-A1 | Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease | ELI LILLY AND COMPANY (US) | 1996-11-20 | — | — | EP | disclosed |
| US-5543428-A | ADMINISTERING SUBSTITUTED PHENOXYALKYL COMPOUNDS TO REVERSE DRUG RESISTANCE | ELI LILLY AND COMPANY (US) | 1996-08-06 | — | — | US | disclosed |
| WO-1996006604-A2 | METHODS FOR IDENTIFYING AND TREATING RESISTANT TUMORS | ELI LILLY AND COMPANY (US) | 1996-03-07 | — | — | WO | disclosed |
| US-5462954-A | Antiinflammatory, antiallergens; treating asthma | ELI LILLY AND COMPANY (US) | 1995-10-31 | — | — | US | disclosed |
| EP-0544488-A2 | Substituted phenyl phenol leukotriene antagonists | ELI LILLY AND COMPANY (US) | 1993-06-02 | — | — | EP | 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 (2 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-20020013370-A1 | Methods for identifying and treating resistant tumors | ABCC1, SLC11A2, VHL | LTB4R 1827/4885LTB4R2 2396/4885 |
| US-20020010213-A1 | Methods for identifying and treating resistant tumors | ABCC1, SLC11A2, VHL | LTB4R 1827/4885LTB4R2 2396/4885 |
“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.