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 | 11/20 | 0.72 |
| ▸ | ADRB1 known ✓ | P08588 | 7/20 | 0.72 |
| ▸ | ADRB3 known ✓ | P13945 | 5/20 | 0.72 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.72 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.72 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.72 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.72 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.72 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.72 |
| ▸ | PDE4B known ✓ | Q07343 | 4/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.44 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.72 |
| ▸ | PGR | P06401 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20699478 | 0.99 | ADRB2 (0.73) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| SCHEMBL1151393 | 0.99 | ADRB2 (0.73) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Arformoterol SCHEMBL3383578 | 0.85 | ADRB2 (0.98) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Arformoterol SCHEMBL3679114 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Formoterol SCHEMBL15856256 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Arformoterol SCHEMBL458736 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Arformoterol SCHEMBL117865 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Arformoterol SCHEMBL4247 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Arformoterol SCHEMBL6547706 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2CYP1A2 | |
| Formoterol SCHEMBL6528975 | 0.84 | ADRB2 (1.00) | ADRB2ADRB1ADRB3DRD2CYP1A2 |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10179139-B2 | Pharmaceutical composition | CIPLA LIMITED (IN) | 2019-01-15 | — | — | US | disclosed |
| US-20140147393-A1 | Pharmaceutical Composition | CIPLA LIMITED (IN) | 2014-05-29 | — | — | US | disclosed |
| EP-2484382-A1 | Medicament comprising a phosphodiesterase IV inhibitor in an inhalable form | Schering Corporation (US) | 2012-08-08 | — | — | EP | disclosed |
| EP-2444080-A2 | Stable Pharmaceutical Drug Aerosols | Schering Corporation (US) | 2012-04-25 | — | — | EP | disclosed |
| US-20120055469-A1 | STABLE PHARMACEUTICAL DRUG PRODUCTS | SCHERING CORPORATION (US) | 2012-03-08 | — | — | US | disclosed |
| US-20110182830-A1 | INHALATION DRUG PRODUCTS, SYSTEMS AND USES | SCHERING CORPORATION | 2011-07-28 | — | — | US | disclosed |
| EP-2092935-B1 | Pharmaceutical compositions for the treatment of asthma | SCHERING CORP (US) | 2011-03-30 | — | — | EP | disclosed |
| US-20100143269-A1 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF ASTHMA | SCHERING CORPORATION | 2010-06-10 | — | — | US | disclosed |
| US-20090298802-A1 | Pharmaceutical Compositions | MERCK SHARP & DOHME CORP. | 2009-12-03 | — | — | US | disclosed |
| EP-2092935-A1 | Pharmaceutical compositions for the treatment of asthma | SCHERING CORPORATION (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1925293-A2 | Pharmaceutical aerosol compositions | SCHERING CORPORATION (US) | 2008-05-28 | — | — | EP | disclosed |
| US-20080064674-A1 | Pharmaceutical Compositions | SCHERING CORPORATION | 2008-03-13 | — | — | US | disclosed |
| EP-1879620-A2 | MEDICAMENTS AND METHODS COMBINING AN ANTICHOLINERGIC, A CORTICOSTEROID, AND A LONG ACTING BETA AGONIST | SCHERING CORPORATION (US) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006105401-A2 | MEDICAMENTS AND METHODS COMBINING AN ANTICHOLINERGIC, A CORTICOSTEROID, AND A LONG ACTING BETA AGONIST | SCHERING CORPORATION (US) | 2006-10-05 | — | — | WO | disclosed |
| EP-1684717-A2 | PHARMACEUTICAL AEROSOL COMPOSITIONS | SCHERING CORPORATION (US) | 2006-08-02 | — | — | EP | disclosed |
| US-20050136009-A1 | Pharmaceutical compositions | SCHERING CORPORATION | 2005-06-23 | — | — | US | disclosed |
| WO-2005041931-A2 | PHARMACEUTICAL AEROSOL COMPOSITIONS | SCHERING CORPORATION (US) | 2005-05-12 | — | — | WO | disclosed |
| EP-1420759-A2 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF ASTHMA | Schering Corporation (US) | 2004-05-26 | — | — | EP | disclosed |
| US-20030114428-A1 | Pharmaceutical compositions for the treatment of asthma | SCHERING CORPORATION | 2003-06-19 | — | — | US | disclosed |
| WO-2003020253-A2 | PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF ASTHMA | SCHERING CORPORATION (US) | 2003-03-13 | — | — | WO | disclosed |