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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.50 |
| ▸ | CYSLTR1 | Q9Y271 | 6/20 | 0.54 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.54 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.50 |
| ▸ | ABCC2 | Q92887 | 3/20 | 0.50 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.50 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3263851 | 0.87 | CYSLTR1 (0.49) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL5493622 | 0.83 | CYSLTR1 (0.58) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL3262566 | 0.80 | CYSLTR1 (0.46) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL3262565 | 0.80 | CYSLTR1 (0.46) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL28625394 | 0.79 | CYSLTR1 (0.57) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| SCHEMBL625607 | 0.77 | CYSLTR1 (0.52) | CYSLTR1CYSLTR2ABCC1ABCC2MEN1 | |
| Water SCHEMBL3030654 | 0.77 | CYSLTR1 (0.49) | CYSLTR1CYSLTR2 | |
| Water SCHEMBL3030658 | 0.77 | CYSLTR2 (0.56) | CYSLTR1CYSLTR2 | |
| SCHEMBL5500353 | 0.77 | CYSLTR2 (0.56) | CYSLTR1CYSLTR2 | |
| Water SCHEMBL3030652 | 0.77 | CYSLTR2 (0.56) | CYSLTR1CYSLTR2 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7829716-B2 | decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast | Synthon Pharmaceuticals, Inc. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7786138-B2 | Process for making montelukast and intermediates therefor | SYNTHON BV (NL) | 2010-08-31 | — | — | US | disclosed |
| US-20100099879-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | BENOVSKY PETR | 2010-04-22 | — | — | US | disclosed |
| EP-1740545-B1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON BV (NL) | 2010-03-24 | — | — | EP | disclosed |
| US-20090093636-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | BENOVSKY PETR | 2009-04-09 | — | — | US | disclosed |
| US-7476748-B2 | Process for making montelukast and intermediates therefor | SYNTHON BV (NL) | 2009-01-13 | — | — | US | disclosed |
| EP-1960362-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | Synthon B.V. (NL) | 2008-08-27 | — | — | EP | disclosed |
| EP-1954679-A1 | A NEW INTERMEDIATE FOR MAKING MONTELUKAST AND RELATED COMPOUNDS | Synthon B.V. (NL) | 2008-08-13 | — | — | EP | disclosed |
| EP-1948610-A2 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | Synthon B.V. (NL) | 2008-07-30 | — | — | EP | disclosed |
| US-20070135642-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON BV (NL) | 2007-06-14 | — | — | US | disclosed |
| US-20070135480-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON BV (NL) | 2007-06-14 | — | — | US | disclosed |
| WO-2007057227-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON B.V. (NL) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007057225-A2 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON B.V. (NL) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007057228-A1 | A NEW INTERMEDIATE FOR MAKING MONTELUKAST AND RELATED COMPOUNDS | SYNTHON B.V. (NL) | 2007-05-24 | — | — | WO | disclosed |
| EP-1740545-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | Synthon B.V. (NL) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105750-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON B.V. (NL) | 2005-11-10 | — | — | WO | disclosed |
| US-20050245568-A1 | Process for making montelukast and intermediates therefor | SYNTHON BV (NL) | 2005-11-03 | — | — | 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 (5 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-20070135480-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | LTC4S, LTA4H, CYSLTR1 | MEN1 1606/4885CYSLTR1 3/4885CYSLTR2 10/4885 |
| US-20070135642-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | CYP4A11, CYP51A1, CYP4F11 | MEN1 1237/4885CYSLTR1 9/4885CYSLTR2 19/4885 |
| US-20050245568-A1 | Process for making montelukast and intermediates therefor | CYP51A1, GPR17, CYP27A1 | MEN1 1209/4885CYSLTR1 9/4885CYSLTR2 15/4885 |
| US-20090093636-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | CYP4A11, CYP51A1, CYP4F11 | MEN1 1237/4885CYSLTR1 9/4885CYSLTR2 19/4885 |
| US-20100099879-A1 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | CMA1, CYP51A1, NOTUM | MEN1 520/4885CYSLTR1 5/4885CYSLTR2 11/4885 |
“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.