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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.38 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.53 |
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29844652 | 0.97 | MAOA (0.54) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL29958223 | 0.97 | MAOA (0.54) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL290638 | 0.97 | MAOA (0.54) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL9781138 | 0.87 | MAOA (0.47) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL19820978 | 0.82 | GPR3 (0.52) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL1501789 | 0.81 | MAOA (0.42) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL4732207 | 0.80 | MAOA (0.54) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL18631368 | 0.80 | MAOA (0.54) | MAOAGPR3KMT2AMEN1NOX1 | |
| Fluorene SCHEMBL25386791 | 0.79 | GPR3 (0.70) | MAOAGPR3KMT2AMEN1NOX1 | |
| SCHEMBL10197078 | 0.79 | MAOA (0.41) | MAOAGPR3KMT2AMEN1NOX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6479505-B1 | TREATING AIRWAY DISORDER IN A PATIENT COMPRISING ADMINISTERING TO SAID PATIENT IN NEED THEREOF A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PHOSPHODIESTERASE IV INHIBITOR | ALTANA PHARMA AG (DE) | 2002-11-12 | — | — | US | claimed |
| EP-1147088-A1 | 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2001-10-24 | — | — | EP | claimed |
| WO-2000042019-A1 | 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-07-20 | — | — | WO | claimed |
| US-6479505-B1 | TREATING AIRWAY DISORDER IN A PATIENT COMPRISING ADMINISTERING TO SAID PATIENT IN NEED THEREOF A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PHOSPHODIESTERASE IV INHIBITOR | ALTANA PHARMA AG (DE) | 2002-11-12 | — | — | US | disclosed |
| EP-1147088-A1 | 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000042019-A1 | 6-ARYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-07-20 | — | — | WO | disclosed |